murphy_1969 =========== W\. F\. Murphy, W\. Holzer and H\. J\. Bernstein, "Gas phase Raman intensities\: a review of 'pre\-laser' data", Appl\. Spectrosc\. 23, 211 \(1969\) `Source record `__ · :doc:`Catalogue ` · :doc:`Review register ` DOI: `10\.1366/000370269774380824 `__ **Source kind:** compilation **Recorded technique:** A review of the gas\-phase vibrational Raman intensities measured with mercury\-arc excitation \(4358 A\) and photoelectric detection before the laser \(pp\. 211\-217\)\: six low\-pressure water\-cooled Hg arcs around a multiple\-reflection cell of about 10 litres, the incident light polarized perpendicular to the cell axis by a Polaroid sheet \(Fig\. 1, p\. 211\)\. The band intensities were measured relative to the A1 \(2914 cm\-1\) band of methane, the standard; its 'absolute intensity' came from the ratio to the Rayleigh line or to the H2 rotational line J = 3 \<\- 1, whose cross sections are calculable \(p\. 216\)\. The authors reduce every datum of the cited papers to one definition \(the scattering activity, the depolarization ratio for natural light, the derivatives of the mean polarizability\), recomputing from the original data the entries they bracket\. **Materials in structured entries:** CH4, CO, CO2, D2, H2, N2, O2, SF6 **Dataset quantities:** depolarization\_ratio, polarizability\_derivative, raman\_cross\_section, raman\_cross\_section\_ratio, raman\_scattering\_activity, raman\_shift **Contents:** 53 datasets; 0 formulas. Curation notes -------------- Journal pages 211\-218 = PDF pages 1\-8 \(page n of the PDF is p\. 210 \+ n\)\. Identity checked against the first page \(title, authors, Appl\. Spectrosc\. 23, 211\)\. WHAT IS TAKEN\. Table I, whose first part \(tbl\_ca70dea8e569, p\. 212\) holds every curated molecule\: H2, D2, O2, N2, CO, CO2, CH4 and SF6, per band\: the band position nu\_j \(raman\_shift\), I\_j/I\_1 \(raman\_cross\_section\_ratio, relative to methane's A1 band at 4358 A\), rho\_nj \(depolarization\_ratio, natural light\), the scattering activity g\_j\(45 a\_j'^2 \+ 7 g\_j'^2\) \(raman\_scattering\_activity\), dalpha/dQ\_j and dalpha/dr \(polarizability\_derivative, component mean; parameters\.coordinate says which\)\. The library cells merge the sub\-lines of each row and lose some\: the in\-scope lines are transcribed from the table image in the script, which checks them against the cells \(a structural fix; see tools/extract/murphy\_1969\.py\)\. N2O is not in the table\. The four continuation parts \(tbl\_30a71dee5856 p\. 213, tbl\_e29dfa66b07c p\. 214, tbl\_d8cdb7b2c9ab p\. 215, tbl\_92207413a7ff p\. 216, in that page order\) hold only molecules outside the scope and are not extracted\: HCl, HBr, CS2, H2S, NH3, CD4, CF4, CCl4, SiF4, SeF6, TeF6 \(first part\), halomethanes \(CH3Cl, CH3Br, CHF3, CHCl3, CF3Cl, CF3Br, CFCl3, CH2F2, CF2Cl2, CHF2Cl, CHFCl2, CHF2Br\), CH3OH, CH3CN, C2H2, C2H4, C2H6, C2F6, CH3CH2Cl, CH3CH2Br, CH3CHF2, CH3CF2Cl, CF3CF2Cl, propane, n\-butane, n\-pentane, neopentane, n\-hexane, cyclohexane, C6H6, 1,3\-butadiene, vinyl acetylene, acetonitrile, t\-butanol, C4F8\. ALL VALUES ARE REPRODUCTIONS\. Every Table I entry comes from a cited paper \(the Ref\. column; none is in the library\)\: unbracketed entries as the paper gave them, bracketed ones 'calculated from original literature data' by these authors, with data taken with unpolarized light 'transformed \.\.\. to values which conform to our definitions' \(p\. 217\)\. The datasets are use = "reproduced" with the cited papers; the brackets are kept in each file's printed column, with the reference of the line\. The row label names the reference; 'Q branch' marks an entry printed with Q \('Q branch only'\), 'band' the whole band\. Key to the table \(p\. 212\)\: \[ \] calculated from original literature data; p photographic detection; n original data obtained with unpolarized incident light; Q Q branch only; alpha isotropic part only; gamma anisotropic part only; Gamma\: see the reference for \(dgamma/dQ\_j\)^2\. Every in\-scope reference carries the mark n\. NOT TRANSCRIBED\. rho printed '6/7' \(methane's 1306, 1535 and 3017 cm\-1 bands\)\: the theoretical value for a depolarized band, not a number measured\. Methane's 1306 cm\-1 I\_j/I\_1 '\[\<0\.006\]' \(ref\. 16\)\: an upper limit\. The 'Gamma' entries of methane's depolarized bands\: a pointer to the references\. Methane's A1 I\_j/I\_1 = 1\: the standard, by definition\. UNITS\. N in the column factors 'N x 10^\-32' \(activity, cm^4 g^\-1\) and 'N^\(1/2\) x 10^\-16' \(dalpha/dQ, cm^2 g^\-1/2\), printed once in the H2 row, is Avogadro's number\: the paper's own methane cross section \(below\) is reproduced only so\. A printed activity is therefore exactly in angstrom^4/amu, a printed dalpha/dQ in angstrom^2/amu^\(1/2\); dalpha/dr is in cm^2 with the factor 1e\-16 \(so 1\.75 is 1\.75e\-20 m^2\)\. The polarizability is the volume polarizability \(cm^3\)\. The dalpha/dQ header exponent is printed \-1/2 \(image\); the library cells read the N exponent as 1/4, the image shows 1/2\. The p\. 214 continuation's header prints the unit as cm^3 g^\-1 \(not used\)\. EXCITATION AND STANDARD\. 4358 A \(the Hg line, an air wavelength; p\. 217\), recorded as the abscissa \(standard air\)\. The reference band is methane's A1 band at 2914 cm\-1, 'chosen as a standard for experimental convenience' \(p\. 217\)\. 'For the A1 band of the reference substance methane, we have selected the value 205 x N x 10^\-32 cm^4 g^\-1 \(\+\-5%\) for the scattering activity\. The differential cross section for this band as calculated by Eq\. \(2\) for 4358\-A irradiation is then \(dsigma\_1/dOmega\)\_4358 = 6\.58 x 10^\-30 cm^2 \(\+\-5%\)' \(p\. 217\)\: the inline datasets activity\_CH4\_nu1\_selected and cross\_section\_CH4\_nu1, the paper's own choice \(use = "check"\)\. Eq\. \(2\), p\. 216\: dsigma\_j/dOmega = \[\(2 pi\)^4/45\] {b\_j^2 \(nu\_0 \- nu\_j\)^4 / \[1 \- exp\(\-h nu\_j c/kT\)\]} g\_j\(45 a\_j'^2 \+ 7 g\_j'^2\), for observation perpendicular to the polarization of linearly polarized incident light, b\_j = \(h/8 pi^2 nu\_j c\)^\(1/2\) the zero\-point amplitude \(the page image shows the exponent 1/2; the library's text reads 3/2\), nu in cm^\-1\. Checked 2026\-09\-26\: with 205 angstrom^4/amu, nu\_0 = 22938 cm^\-1, nu\_1 = 2914 cm^\-1 and T = 295 K, Eq\. \(2\) gives 6\.60e\-30 cm^2 against the printed 6\.58e\-30 \(0\.4 %; the Boltzmann factor is 1 to 1e\-6\)\. Eq\. \(2\) with the tabulated activities also reproduces the I\_j/I\_1 column to within a few per cent \(N2 24\.5 \-\> 0\.168, printed \[0\.17\]; O2 19\.7 \-\> 0\.234, \[0\.24\]; H2 147 \-\> 0\.389, \[0\.40\]; D2 73 \-\> 0\.343, \[0\.35\]; SF6 22\.7 \-\> 0\.639, 0\.65; CH4 3017 cm\-1 140 \-\> 0\.646, \[0\.68\]; CH4 1535 cm\-1 9\.1 \-\> 0\.110, \[0\.115\]\), but for CO only to 8 % \(23\.1 \-\> 0\.178 against \[0\.165\]\)\. Eq\. \(7\), p\. 217, converts to another excitation wavenumber nu\: dsigma\_j/dOmega = \(I\_j/I\_1\)\_4358 x \(dsigma\_1/dOmega\)\_4358 x \(\(nu \- nu\_j\)/\(22938 \- nu\_j\)\)\. The last factor is printed without an exponent \(page image checked at 300 dpi\); Eq\. \(2\) makes it the fourth power\. 22938 cm^\-1 is the vacuum wavenumber of the 4358 A line\. THE DERIVATIVES \(for review; solprop's N2, O2, CH4 and SF6 dalpha/dq come from here\)\. a\_j' = dalpha/dQ\_j follows from the activity and rho \(Eq\. 3\)\: with S = g\(45 a'^2 \+ 7 g'^2\) and rho = 6 g'^2/\(45 a'^2 \+ 7 g'^2\), a' = \[\(S/g\)\(1 \- 7 rho/6\)/45\]^\(1/2\)\. Checked 2026\-09\-26\: N2 \(S = 24\.5, rho = 0\.18\) 0\.656 \(printed \[0\.66\]\); O2 \(19\.7, 0\.33\) 0\.519 \(\[0\.52\]\); H2 \(147, 0\.070\) 1\.732 \(\[1\.73\]\); D2 \(73, 0\.073\) 1\.218 \(\[1\.22\]\); SF6 \(22\.7, 0\) 0\.710 \(\[0\.71\]\); CH4 A1 \(207, 0\) 2\.145 \(2\.15\), \(200, 0\) 2\.108 \(2\.10\)\. The bond derivative, Eq\. \(4\), p\. 217, for a diatomic AB\: 'dalpha/dQ = mu^\(\-1/2\) dalpha\_AB/dr\_AB, where alpha\_AB is the bond polarizability, r\_AB is the internuclear distance, and mu is the reduced mass'; Eq\. \(5\) 'for molecules of the type AB\_n with n equivalent AB bonds\: dalpha/dQ = \(n/m\_B\)^\(1/2\) dalpha\_AB/dr\_AB, where m\_B is the mass of the B atom'\. Checked with mu in amu \(2026\-09\-26\)\: N2 1\.75/7\.0015^\(1/2\) = 0\.661 \(\[0\.66\]\); O2 1\.46/7\.9975^\(1/2\) = 0\.516 \(\[0\.52\]\); H2 1\.23/0\.504^\(1/2\) = 1\.733 \(\[1\.73\]\); D2 1\.22/1\.007^\(1/2\) = 1\.216 \(\[1\.22\]\); CO 1\.50/6\.856^\(1/2\) = 0\.573 against the printed \[0\.58\] \(0\.58 gives 1\.52\: a rounding or an input difference, not resolved\); CH4 \(n = 4, m\_H = 1\.008\) 1\.04 \-\> 2\.07 \(printed 2\.08\), 1\.03 \-\> 2\.05 \(2\.06\), 1\.08 \-\> 2\.15 \(2\.15\), but ref\. 19's 1\.08 against its 2\.10 \(2\.10 gives 1\.05\); SF6 \(n = 6, m\_F = 18\.998\) Long and Thomas's 1\.23 \-\> 0\.691 against the bracketed \[0\.71\] recomputed from the activity \(0\.71 gives 1\.26\)\: the 1\.23 is the cited paper's own value, not Eq\. \(5\) of this table's a'\. solprop's values are these dalpha/dr in SI\: N2 1\.75e\-20 m^2 = \[1\.75\], O2 1\.46e\-20 = \[1\.46\], CH4 1\.04e\-20 = ref\. 17's 1\.04 \(Yoshino and Bernstein 1959; the other three references give 1\.03, 1\.08, 1\.08\), SF6 1\.23e\-20 = ref\. 20's 1\.23 \(Long and Thomas 1963\), all mean\-polarizability derivatives per bond\. TABLE II \(tbl\_096099949b81, p\. 217; notes only, no quantity fits a bond anisotropy\)\: 'Bond polarizability anisotropies, \(alpha\_par \- alpha\_perp\)\_CX, derived from scattering activity for the nu2 band of tetrahedral CX4 molecules', from Eq\. \(6\), gamma\_j'^2 = 8 gamma\_AB/\(m\_B r\_AB^2\) as printed\. CH4\: nu2 1535 cm\-1, gamma'^2 = 0\.65 x N x 10^\-32 cm^4 g^\-1, \(alpha\_par \- alpha\_perp\)\_CH = 0\.31 x 10^\-14 cm^3 'from Eq\. \(6\)' against 0\.21 x 10^\-24 cm^3 'Literature' \(Denbigh 1940, ref\. 14\)\. The 10^\-14 is a misprint for 10^\-24 \(the column's unit is cm^3; the image was checked\) and Eq\. \(6\) needs gamma\_AB squared\: gamma\_AB = \[gamma'^2 m\_H r^2/8\]^\(1/2\) with r\_CH = 1\.09 A gives 3\.1e\-25 cm^3, the printed 0\.31 \(checked 2026\-09\-26\)\. CF4 \(435 cm\-1; 0\.075; 0\.56; \.\.\.\) and CCl4 \(221 cm\-1; 0\.26; 1\.89; 1\.59\) are out of scope\. UNCERTAINTY\. 'Data for strong sharp bands are accurate to about \+\-5%\-10%, while data for weak and broad bands are less accurate' \(abstract, p\. 211\); 'For strong and narrow bands, it is estimated that the error in the scattering activity is less than 10%\. The error in rho\_nj is somewhat greater, due to the convergence errors' \(p\. 217\); 'even the best available data are accurate only to about \+\-10%' \(p\. 218\)\. The activities of the diatomics, SF6 and methane's A1 band carry 10 % as a bound; the weak and broad bands \(CO2, methane's 1535 and 3017 cm\-1\) none\. The temperature is not stated \(room temperature\)\. ISOTOPOLOGUES\. The molecules are the natural gases; nothing is said of isotopic composition\. H2 and D2 are normal hydrogen and deuterium \(no ortho\:para statement\)\. CD4 is out of scope\. **Recorded bibliographic identity status:** VALIDATED\_WITH\_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents. Datasets -------- murphy\_1969/activity\_CH4\_nu1\_selected ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_CH4_nu1_selected", "material": "CH4", "table": "text", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "check", "uncertainty": { "relative": 0.05, "level": "not stated" }, "parameters": { "mode": "nu1, the A1 C-H stretch at 2914 cm-1" } } 1 inline points in the source record. p\. 217\: 'For the A1 band of the reference substance methane, we have selected the value 205 x N x 10^\-32 cm^4 g^\-1 \(\+\-5%\) for the scattering activity' \(N Avogadro's number\: angstrom^4/amu\)\. The paper's own choice between Table I's 207 \(ref\. 8\) and 200 \(ref\. 19\); the standard of every I\_j/I\_1\. murphy\_1969/cross\_section\_CH4\_nu1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "cross_section_CH4_nu1", "material": "CH4", "table": "text", "quantity": "raman_cross_section", "unit": "cm2/sr", "scale": 1e-30, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "check", "uncertainty": { "relative": 0.05, "level": "not stated" }, "parameters": { "transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "observed perpendicular to the polarization of linearly polarized incident light" } } 1 inline points in the source record. p\. 217\: '\(dsigma\_1/dOmega\)\_4358 = 6\.58 x 10^\-30 cm^2 \(\+\-5%\)', calculated by Eq\. \(2\) from the selected activity 205 \(activity\_CH4\_nu1\_selected\), for observation perpendicular to the polarization of linearly polarized incident light\. Printed in cm^2\: a differential cross section, per steradian\. Reproduced from Eq\. \(2\) to 0\.4 % \(6\.60e\-30 at 295 K; the record's notes\)\. murphy\_1969/shift\_H2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "shift_H2", "material": "H2", "file": "H2/murphy_1969__shift_H2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)", "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "parameters": { "transition": "v=0-1 stretch (fundamental): band position of the Raman band (as tabulated, to 1 cm-1)" } } Table I \(p\. 212\), nu\_j\. The band position as compiled from the cited paper\(s\), to 1 cm\-1 \(a band centre, not a line position\)\. v=0\-1 stretch \(fundamental\)\. murphy\_1969/ratio\_H2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_H2", "material": "H2", "file": "H2/murphy_1969__ratio_H2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "v=0-1 stretch (fundamental) (per row: Q branch only, or the whole band)", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1\: the integrated radiant intensity of the band relative to that of the A1 \(2914 cm\-1\) band of methane at 4358 A, equal to the ratio of the differential cross sections of Eq\. \(2\) \(p\. 217\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Eq\. \(7\) converts to another excitation frequency \(see the record's notes on its printed exponent\)\. murphy\_1969/rho\_H2 ~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "rho_H2", "material": "H2", "file": "H2/murphy_1969__rho_H2.csv", "table": "tbl_ca70dea8e569", "quantity": "depolarization_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)", "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "parameters": { "kind": "raman", "polarization": "natural", "transition": "v=0-1 stretch (fundamental) (per row)" } } Table I, rho\_nj, defined by Eq\. \(3\), rho\_n = 6 g'^2/\(45 a'^2 \+ 7 g'^2\)\: the depolarization ratio for natural \(unpolarized\) incident light, corrected for the convergence error of the multipass cell \(p\. 216\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. 'The error in rho\_nj is somewhat greater' than the 10 % of the activities \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/activity\_H2 ~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_H2", "material": "H2", "file": "H2/murphy_1969__activity_H2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "uncertainty": { "relative": 0.1, "level": "bound" }, "parameters": { "mode": "v=0-1 stretch (fundamental)" } } Table I, g\_j\(45 a\_j'^2 \+ 7 g\_j'^2\), printed in 'cm^4 g^\-1' with the column factor N x 10^\-32 \(N Avogadro's number, printed once in the H2 row\); a printed number is therefore exactly in angstrom^4/amu \(1e\-32 cm^4 x N / g = 1 angstrom^4/amu\)\. Derived from I\_j/I\_1 with methane's A1 activity \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Uncertainty\: 'For strong and narrow bands, it is estimated that the error in the scattering activity is less than 10%' \(p\. 217\), taken as a bound; the abstract says 'about \+\-5%\-10%'\. murphy\_1969/dadQ\_H2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadQ_H2", "material": "H2", "file": "H2/murphy_1969__dadQ_H2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "angstrom2/amu^(1/2)", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "Q_j, the mass-weighted normal coordinate" } } Table I, a\_j' = dalpha/dQ\_j, the derivative of the mean polarizability \(volume, cm^3\) with respect to the mass\-weighted normal coordinate, from the depolarization ratio and the scattering activity \(p\. 217\); printed in 'cm^2 g^\-1/2' with the column factor N^\(1/2\) x 10^\-16 \(N Avogadro's number; the exponent 1/2 read from the image, the library cells have 1/4\), so a printed number is exactly in angstrom^2/amu^\(1/2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Excitation 4358 A \(the value is excitation\-independent in Placzek's theory\)\. murphy\_1969/dadr\_H2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadr_H2", "material": "H2", "file": "H2/murphy_1969__dadr_H2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "cm2", "scale": 1e-16, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)", "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "r_AB, the bond length (per bond)" } } Table I, dalpha/dr in cm^2 \(column factor 10^\-16, printed once in the H2 row\)\: the derivative of the mean bond polarizability alpha\_AB \(volume, cm^3\) with respect to the internuclear distance, per bond, Eq\. \(4\), dalpha/dQ = mu^\(\-1/2\) dalpha\_AB/dr\_AB, mu the reduced mass \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. In SI a printed 1\.75 is 1\.75e\-20 m^2\. murphy\_1969/shift\_D2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "shift_D2", "material": "D2", "file": "D2/murphy_1969__shift_D2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)", "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "parameters": { "transition": "v=0-1 stretch (fundamental): band position of the Raman band (as tabulated, to 1 cm-1)" } } Table I \(p\. 212\), nu\_j\. The band position as compiled from the cited paper\(s\), to 1 cm\-1 \(a band centre, not a line position\)\. v=0\-1 stretch \(fundamental\)\. murphy\_1969/ratio\_D2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_D2", "material": "D2", "file": "D2/murphy_1969__ratio_D2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)", "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "parameters": { "transition": "v=0-1 stretch (fundamental) (per row: Q branch only, or the whole band)", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1\: the integrated radiant intensity of the band relative to that of the A1 \(2914 cm\-1\) band of methane at 4358 A, equal to the ratio of the differential cross sections of Eq\. \(2\) \(p\. 217\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Eq\. \(7\) converts to another excitation frequency \(see the record's notes on its printed exponent\)\. murphy\_1969/rho\_D2 ~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "rho_D2", "material": "D2", "file": "D2/murphy_1969__rho_D2.csv", "table": "tbl_ca70dea8e569", "quantity": "depolarization_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)", "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "parameters": { "kind": "raman", "polarization": "natural", "transition": "v=0-1 stretch (fundamental) (per row)" } } Table I, rho\_nj, defined by Eq\. \(3\), rho\_n = 6 g'^2/\(45 a'^2 \+ 7 g'^2\)\: the depolarization ratio for natural \(unpolarized\) incident light, corrected for the convergence error of the multipass cell \(p\. 216\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. 'The error in rho\_nj is somewhat greater' than the 10 % of the activities \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/activity\_D2 ~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_D2", "material": "D2", "file": "D2/murphy_1969__activity_D2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "uncertainty": { "relative": 0.1, "level": "bound" }, "parameters": { "mode": "v=0-1 stretch (fundamental)" } } Table I, g\_j\(45 a\_j'^2 \+ 7 g\_j'^2\), printed in 'cm^4 g^\-1' with the column factor N x 10^\-32 \(N Avogadro's number, printed once in the H2 row\); a printed number is therefore exactly in angstrom^4/amu \(1e\-32 cm^4 x N / g = 1 angstrom^4/amu\)\. Derived from I\_j/I\_1 with methane's A1 activity \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Uncertainty\: 'For strong and narrow bands, it is estimated that the error in the scattering activity is less than 10%' \(p\. 217\), taken as a bound; the abstract says 'about \+\-5%\-10%'\. murphy\_1969/dadQ\_D2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadQ_D2", "material": "D2", "file": "D2/murphy_1969__dadQ_D2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "angstrom2/amu^(1/2)", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "Q_j, the mass-weighted normal coordinate" } } Table I, a\_j' = dalpha/dQ\_j, the derivative of the mean polarizability \(volume, cm^3\) with respect to the mass\-weighted normal coordinate, from the depolarization ratio and the scattering activity \(p\. 217\); printed in 'cm^2 g^\-1/2' with the column factor N^\(1/2\) x 10^\-16 \(N Avogadro's number; the exponent 1/2 read from the image, the library cells have 1/4\), so a printed number is exactly in angstrom^2/amu^\(1/2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Excitation 4358 A \(the value is excitation\-independent in Placzek's theory\)\. murphy\_1969/dadr\_D2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadr_D2", "material": "D2", "file": "D2/murphy_1969__dadr_D2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "cm2", "scale": 1e-16, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "D. M. Golden and B. Crawford, J. Chem. Phys. 36, 1554 (1962)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "r_AB, the bond length (per bond)" } } Table I, dalpha/dr in cm^2 \(column factor 10^\-16, printed once in the H2 row\)\: the derivative of the mean bond polarizability alpha\_AB \(volume, cm^3\) with respect to the internuclear distance, per bond, Eq\. \(4\), dalpha/dQ = mu^\(\-1/2\) dalpha\_AB/dr\_AB, mu the reduced mass \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. In SI a printed 1\.75 is 1\.75e\-20 m^2\. murphy\_1969/shift\_O2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "shift_O2", "material": "O2", "file": "O2/murphy_1969__shift_O2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "v=0-1 stretch (fundamental): band position of the Raman band (as tabulated, to 1 cm-1)" } } Table I \(p\. 212\), nu\_j\. The band position as compiled from the cited paper\(s\), to 1 cm\-1 \(a band centre, not a line position\)\. v=0\-1 stretch \(fundamental\)\. murphy\_1969/ratio\_O2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_O2", "material": "O2", "file": "O2/murphy_1969__ratio_O2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "v=0-1 stretch (fundamental) (per row: Q branch only, or the whole band)", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1\: the integrated radiant intensity of the band relative to that of the A1 \(2914 cm\-1\) band of methane at 4358 A, equal to the ratio of the differential cross sections of Eq\. \(2\) \(p\. 217\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Eq\. \(7\) converts to another excitation frequency \(see the record's notes on its printed exponent\)\. murphy\_1969/rho\_O2 ~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "rho_O2", "material": "O2", "file": "O2/murphy_1969__rho_O2.csv", "table": "tbl_ca70dea8e569", "quantity": "depolarization_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "kind": "raman", "polarization": "natural", "transition": "v=0-1 stretch (fundamental) (per row)" } } Table I, rho\_nj, defined by Eq\. \(3\), rho\_n = 6 g'^2/\(45 a'^2 \+ 7 g'^2\)\: the depolarization ratio for natural \(unpolarized\) incident light, corrected for the convergence error of the multipass cell \(p\. 216\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. 'The error in rho\_nj is somewhat greater' than the 10 % of the activities \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/activity\_O2 ~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_O2", "material": "O2", "file": "O2/murphy_1969__activity_O2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "uncertainty": { "relative": 0.1, "level": "bound" }, "parameters": { "mode": "v=0-1 stretch (fundamental)" } } Table I, g\_j\(45 a\_j'^2 \+ 7 g\_j'^2\), printed in 'cm^4 g^\-1' with the column factor N x 10^\-32 \(N Avogadro's number, printed once in the H2 row\); a printed number is therefore exactly in angstrom^4/amu \(1e\-32 cm^4 x N / g = 1 angstrom^4/amu\)\. Derived from I\_j/I\_1 with methane's A1 activity \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Uncertainty\: 'For strong and narrow bands, it is estimated that the error in the scattering activity is less than 10%' \(p\. 217\), taken as a bound; the abstract says 'about \+\-5%\-10%'\. murphy\_1969/dadQ\_O2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadQ_O2", "material": "O2", "file": "O2/murphy_1969__dadQ_O2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "angstrom2/amu^(1/2)", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "Q_j, the mass-weighted normal coordinate" } } Table I, a\_j' = dalpha/dQ\_j, the derivative of the mean polarizability \(volume, cm^3\) with respect to the mass\-weighted normal coordinate, from the depolarization ratio and the scattering activity \(p\. 217\); printed in 'cm^2 g^\-1/2' with the column factor N^\(1/2\) x 10^\-16 \(N Avogadro's number; the exponent 1/2 read from the image, the library cells have 1/4\), so a printed number is exactly in angstrom^2/amu^\(1/2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Excitation 4358 A \(the value is excitation\-independent in Placzek's theory\)\. murphy\_1969/dadr\_O2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadr_O2", "material": "O2", "file": "O2/murphy_1969__dadr_O2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "cm2", "scale": 1e-16, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "r_AB, the bond length (per bond)" } } Table I, dalpha/dr in cm^2 \(column factor 10^\-16, printed once in the H2 row\)\: the derivative of the mean bond polarizability alpha\_AB \(volume, cm^3\) with respect to the internuclear distance, per bond, Eq\. \(4\), dalpha/dQ = mu^\(\-1/2\) dalpha\_AB/dr\_AB, mu the reduced mass \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. In SI a printed 1\.75 is 1\.75e\-20 m^2\. murphy\_1969/shift\_N2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "shift_N2", "material": "N2", "file": "N2/murphy_1969__shift_N2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "v=0-1 stretch (fundamental): band position of the Raman band (as tabulated, to 1 cm-1)" } } Table I \(p\. 212\), nu\_j\. The band position as compiled from the cited paper\(s\), to 1 cm\-1 \(a band centre, not a line position\)\. v=0\-1 stretch \(fundamental\)\. murphy\_1969/ratio\_N2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_N2", "material": "N2", "file": "N2/murphy_1969__ratio_N2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "v=0-1 stretch (fundamental) (per row: Q branch only, or the whole band)", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1\: the integrated radiant intensity of the band relative to that of the A1 \(2914 cm\-1\) band of methane at 4358 A, equal to the ratio of the differential cross sections of Eq\. \(2\) \(p\. 217\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Eq\. \(7\) converts to another excitation frequency \(see the record's notes on its printed exponent\)\. murphy\_1969/rho\_N2 ~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "rho_N2", "material": "N2", "file": "N2/murphy_1969__rho_N2.csv", "table": "tbl_ca70dea8e569", "quantity": "depolarization_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "kind": "raman", "polarization": "natural", "transition": "v=0-1 stretch (fundamental) (per row)" } } Table I, rho\_nj, defined by Eq\. \(3\), rho\_n = 6 g'^2/\(45 a'^2 \+ 7 g'^2\)\: the depolarization ratio for natural \(unpolarized\) incident light, corrected for the convergence error of the multipass cell \(p\. 216\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. 'The error in rho\_nj is somewhat greater' than the 10 % of the activities \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/activity\_N2 ~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_N2", "material": "N2", "file": "N2/murphy_1969__activity_N2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "uncertainty": { "relative": 0.1, "level": "bound" }, "parameters": { "mode": "v=0-1 stretch (fundamental)" } } Table I, g\_j\(45 a\_j'^2 \+ 7 g\_j'^2\), printed in 'cm^4 g^\-1' with the column factor N x 10^\-32 \(N Avogadro's number, printed once in the H2 row\); a printed number is therefore exactly in angstrom^4/amu \(1e\-32 cm^4 x N / g = 1 angstrom^4/amu\)\. Derived from I\_j/I\_1 with methane's A1 activity \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Uncertainty\: 'For strong and narrow bands, it is estimated that the error in the scattering activity is less than 10%' \(p\. 217\), taken as a bound; the abstract says 'about \+\-5%\-10%'\. murphy\_1969/dadQ\_N2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadQ_N2", "material": "N2", "file": "N2/murphy_1969__dadQ_N2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "angstrom2/amu^(1/2)", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "Q_j, the mass-weighted normal coordinate" } } Table I, a\_j' = dalpha/dQ\_j, the derivative of the mean polarizability \(volume, cm^3\) with respect to the mass\-weighted normal coordinate, from the depolarization ratio and the scattering activity \(p\. 217\); printed in 'cm^2 g^\-1/2' with the column factor N^\(1/2\) x 10^\-16 \(N Avogadro's number; the exponent 1/2 read from the image, the library cells have 1/4\), so a printed number is exactly in angstrom^2/amu^\(1/2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Excitation 4358 A \(the value is excitation\-independent in Placzek's theory\)\. murphy\_1969/dadr\_N2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadr_N2", "material": "N2", "file": "N2/murphy_1969__dadr_N2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "cm2", "scale": 1e-16, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "r_AB, the bond length (per bond)" } } Table I, dalpha/dr in cm^2 \(column factor 10^\-16, printed once in the H2 row\)\: the derivative of the mean bond polarizability alpha\_AB \(volume, cm^3\) with respect to the internuclear distance, per bond, Eq\. \(4\), dalpha/dQ = mu^\(\-1/2\) dalpha\_AB/dr\_AB, mu the reduced mass \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. In SI a printed 1\.75 is 1\.75e\-20 m^2\. murphy\_1969/shift\_CO ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "shift_CO", "material": "CO", "file": "CO/murphy_1969__shift_CO.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "v=0-1 stretch (fundamental): band position of the Raman band (as tabulated, to 1 cm-1)" } } Table I \(p\. 212\), nu\_j\. The band position as compiled from the cited paper\(s\), to 1 cm\-1 \(a band centre, not a line position\)\. v=0\-1 stretch \(fundamental\)\. murphy\_1969/ratio\_CO ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_CO", "material": "CO", "file": "CO/murphy_1969__ratio_CO.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "v=0-1 stretch (fundamental) (per row: Q branch only, or the whole band)", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1\: the integrated radiant intensity of the band relative to that of the A1 \(2914 cm\-1\) band of methane at 4358 A, equal to the ratio of the differential cross sections of Eq\. \(2\) \(p\. 217\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Eq\. \(7\) converts to another excitation frequency \(see the record's notes on its printed exponent\)\. murphy\_1969/rho\_CO ~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "rho_CO", "material": "CO", "file": "CO/murphy_1969__rho_CO.csv", "table": "tbl_ca70dea8e569", "quantity": "depolarization_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "kind": "raman", "polarization": "natural", "transition": "v=0-1 stretch (fundamental) (per row)" } } Table I, rho\_nj, defined by Eq\. \(3\), rho\_n = 6 g'^2/\(45 a'^2 \+ 7 g'^2\)\: the depolarization ratio for natural \(unpolarized\) incident light, corrected for the convergence error of the multipass cell \(p\. 216\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. 'The error in rho\_nj is somewhat greater' than the 10 % of the activities \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/activity\_CO ~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_CO", "material": "CO", "file": "CO/murphy_1969__activity_CO.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "uncertainty": { "relative": 0.1, "level": "bound" }, "parameters": { "mode": "v=0-1 stretch (fundamental)" } } Table I, g\_j\(45 a\_j'^2 \+ 7 g\_j'^2\), printed in 'cm^4 g^\-1' with the column factor N x 10^\-32 \(N Avogadro's number, printed once in the H2 row\); a printed number is therefore exactly in angstrom^4/amu \(1e\-32 cm^4 x N / g = 1 angstrom^4/amu\)\. Derived from I\_j/I\_1 with methane's A1 activity \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Uncertainty\: 'For strong and narrow bands, it is estimated that the error in the scattering activity is less than 10%' \(p\. 217\), taken as a bound; the abstract says 'about \+\-5%\-10%'\. murphy\_1969/dadQ\_CO ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadQ_CO", "material": "CO", "file": "CO/murphy_1969__dadQ_CO.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "angstrom2/amu^(1/2)", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "Q_j, the mass-weighted normal coordinate" } } Table I, a\_j' = dalpha/dQ\_j, the derivative of the mean polarizability \(volume, cm^3\) with respect to the mass\-weighted normal coordinate, from the depolarization ratio and the scattering activity \(p\. 217\); printed in 'cm^2 g^\-1/2' with the column factor N^\(1/2\) x 10^\-16 \(N Avogadro's number; the exponent 1/2 read from the image, the library cells have 1/4\), so a printed number is exactly in angstrom^2/amu^\(1/2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Excitation 4358 A \(the value is excitation\-independent in Placzek's theory\)\. murphy\_1969/dadr\_CO ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadr_CO", "material": "CO", "file": "CO/murphy_1969__dadr_CO.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "cm2", "scale": 1e-16, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "v=0-1 stretch (fundamental)", "coordinate": "r_AB, the bond length (per bond)" } } Table I, dalpha/dr in cm^2 \(column factor 10^\-16, printed once in the H2 row\)\: the derivative of the mean bond polarizability alpha\_AB \(volume, cm^3\) with respect to the internuclear distance, per bond, Eq\. \(4\), dalpha/dQ = mu^\(\-1/2\) dalpha\_AB/dr\_AB, mu the reduced mass \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. In SI a printed 1\.75 is 1\.75e\-20 m^2\. murphy\_1969/shift\_SF6 ~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "shift_SF6", "material": "SF6", "file": "SF6/murphy_1969__shift_SF6.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "D. A. Long and E. L. Thomas, Trans. Farad. Soc. 59, 1026 (1963)" ], "parameters": { "transition": "the polarized band at 775 cm-1 (rho = 0; the paper names no assignment): band position of the Raman band (as tabulated, to 1 cm-1)" } } Table I \(p\. 212\), nu\_j\. The band position as compiled from the cited paper\(s\), to 1 cm\-1 \(a band centre, not a line position\)\. the polarized band at 775 cm\-1 \(rho = 0; the paper names no assignment\)\. murphy\_1969/ratio\_SF6 ~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_SF6", "material": "SF6", "file": "SF6/murphy_1969__ratio_SF6.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "D. A. Long and E. L. Thomas, Trans. Farad. Soc. 59, 1026 (1963)" ], "parameters": { "transition": "the polarized band at 775 cm-1 (rho = 0; the paper names no assignment) (per row: Q branch only, or the whole band)", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1\: the integrated radiant intensity of the band relative to that of the A1 \(2914 cm\-1\) band of methane at 4358 A, equal to the ratio of the differential cross sections of Eq\. \(2\) \(p\. 217\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Eq\. \(7\) converts to another excitation frequency \(see the record's notes on its printed exponent\)\. murphy\_1969/rho\_SF6 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "rho_SF6", "material": "SF6", "file": "SF6/murphy_1969__rho_SF6.csv", "table": "tbl_ca70dea8e569", "quantity": "depolarization_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "D. A. Long and E. L. Thomas, Trans. Farad. Soc. 59, 1026 (1963)" ], "parameters": { "kind": "raman", "polarization": "natural", "transition": "the polarized band at 775 cm-1 (rho = 0; the paper names no assignment) (per row)" } } Table I, rho\_nj, defined by Eq\. \(3\), rho\_n = 6 g'^2/\(45 a'^2 \+ 7 g'^2\)\: the depolarization ratio for natural \(unpolarized\) incident light, corrected for the convergence error of the multipass cell \(p\. 216\); rows by reference; 'Q branch' marks a value printed with Q \(the Q branch only\), 'band' the whole band\. 'The error in rho\_nj is somewhat greater' than the 10 % of the activities \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/activity\_SF6 ~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_SF6", "material": "SF6", "file": "SF6/murphy_1969__activity_SF6.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "D. A. Long and E. L. Thomas, Trans. Farad. Soc. 59, 1026 (1963)" ], "uncertainty": { "relative": 0.1, "level": "bound" }, "parameters": { "mode": "the polarized band at 775 cm-1 (rho = 0; the paper names no assignment)" } } Table I, g\_j\(45 a\_j'^2 \+ 7 g\_j'^2\), printed in 'cm^4 g^\-1' with the column factor N x 10^\-32 \(N Avogadro's number, printed once in the H2 row\); a printed number is therefore exactly in angstrom^4/amu \(1e\-32 cm^4 x N / g = 1 angstrom^4/amu\)\. Derived from I\_j/I\_1 with methane's A1 activity \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Uncertainty\: 'For strong and narrow bands, it is estimated that the error in the scattering activity is less than 10%' \(p\. 217\), taken as a bound; the abstract says 'about \+\-5%\-10%'\. murphy\_1969/dadQ\_SF6 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadQ_SF6", "material": "SF6", "file": "SF6/murphy_1969__dadQ_SF6.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "angstrom2/amu^(1/2)", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "D. A. Long and E. L. Thomas, Trans. Farad. Soc. 59, 1026 (1963)" ], "parameters": { "component": "mean", "mode": "the polarized band at 775 cm-1 (rho = 0; the paper names no assignment)", "coordinate": "Q_j, the mass-weighted normal coordinate" } } Table I, a\_j' = dalpha/dQ\_j, the derivative of the mean polarizability \(volume, cm^3\) with respect to the mass\-weighted normal coordinate, from the depolarization ratio and the scattering activity \(p\. 217\); printed in 'cm^2 g^\-1/2' with the column factor N^\(1/2\) x 10^\-16 \(N Avogadro's number; the exponent 1/2 read from the image, the library cells have 1/4\), so a printed number is exactly in angstrom^2/amu^\(1/2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Excitation 4358 A \(the value is excitation\-independent in Placzek's theory\)\. murphy\_1969/dadr\_SF6 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadr_SF6", "material": "SF6", "file": "SF6/murphy_1969__dadr_SF6.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "cm2", "scale": 1e-16, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "D. A. Long and E. L. Thomas, Trans. Farad. Soc. 59, 1026 (1963)" ], "parameters": { "component": "mean", "mode": "the polarized band at 775 cm-1 (rho = 0; the paper names no assignment)", "coordinate": "r_AB, the bond length (per bond)" } } Table I, dalpha/dr in cm^2 \(column factor 10^\-16, printed once in the H2 row\)\: the derivative of the mean bond polarizability alpha\_AB \(volume, cm^3\) with respect to the internuclear distance, per bond, Eq\. \(5\), dalpha/dQ = \(n/m\_B\)^\(1/2\) dalpha\_AB/dr\_AB, n = 6 equivalent S\-F bonds, m\_B the mass of F \(p\. 217\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. In SI a printed 1\.75 is 1\.75e\-20 m^2\. murphy\_1969/shift\_CO2 ~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "shift_CO2", "material": "CO2", "file": "CO2/murphy_1969__shift_CO2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "per row: band position of the Raman band (as tabulated, to 1 cm-1)" } } Table I \(p\. 212\), nu\_j of the four bands, as compiled from ref\. 1, to 1 cm\-1\. the four bands at 1265, 1285, 1388 and 1409 cm\-1 \(the nu1/2nu2 Fermi region; the paper names no assignment\)\. murphy\_1969/ratio\_CO2 ~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_CO2", "material": "CO2", "file": "CO2/murphy_1969__ratio_CO2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "transition": "Q branch of the band of the row", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1 of the four Q branches relative to methane's A1 band at 4358 A \(see ratio\_N2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. The third and fourth values are lost from the library cells and transcribed from the image\. murphy\_1969/rho\_CO2 ~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "rho_CO2", "material": "CO2", "file": "CO2/murphy_1969__rho_CO2.csv", "table": "tbl_ca70dea8e569", "quantity": "depolarization_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "kind": "raman", "polarization": "natural", "transition": "Q branch of the band of the row" } } Table I, rho\_nj \(Eq\. 3, natural incident light\) of the four Q branches\. The third and fourth values are lost from the library cells and transcribed from the image\. murphy\_1969/activity\_CO2 ~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_CO2", "material": "CO2", "file": "CO2/murphy_1969__activity_CO2.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "mode": "the four bands at 1265, 1285, 1388 and 1409 cm-1 (the nu1/2nu2 Fermi region; the paper names no assignment)" } } Table I, scattering activities of the four bands \(unit as for activity\_N2\), braced together in the table to the one dalpha/dQ and dalpha/dr\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. No uncertainty given\: a weak or broad band, for which the paper says only that the data 'are less accurate' \(abstract\)\. murphy\_1969/dadQ\_CO2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadQ_CO2", "material": "CO2", "file": "CO2/murphy_1969__dadQ_CO2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "angstrom2/amu^(1/2)", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "nu1 (symmetric stretch), from the sum of the four bands", "coordinate": "Q, the mass-weighted normal coordinate" } } Table I, dalpha/dQ \(unit as for dadQ\_N2\) braced to the four bands\: derived from their summed activity \(the Fermi\-resonance pair shares the nu1 intensity\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/dadr\_CO2 ~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadr_CO2", "material": "CO2", "file": "CO2/murphy_1969__dadr_CO2.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "cm2", "scale": 1e-16, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 213 (1958)" ], "parameters": { "component": "mean", "mode": "nu1 (symmetric stretch), from the sum of the four bands", "coordinate": "r_AB, the bond length (per bond)" } } Table I, dalpha/dr per C\-O bond \(cm^2, column factor 1e\-16\), braced to the four bands\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. Eq\. \(5\) with n = 2 and m\_B the mass of O\. murphy\_1969/shift\_CH4 ~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "shift_CH4", "material": "CH4", "file": "CH4/murphy_1969__shift_CH4.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 241 (1958)", "T. Yoshino and H. J. Bernstein, Spectrochim. Acta 14, 127 (1959)", "Yu. A. Lazarev, Opt. Spectry. 17, 194 (1964)", "H. W. Schrötter and H. J. Bernstein, J. Mol. Spectry. 12, 1 (1964); J. Mol. Spectry. 22, 122 (1967)", "W. Holzer, J. Mol. Spectry. 25, 123 (1968)" ], "parameters": { "transition": "per row: band position of the Raman band (as tabulated, to 1 cm-1)" } } Table I \(p\. 212\), nu\_j of the four methane bands, to 1 cm\-1\. The paper names 2914 cm\-1 the A1 band \(p\. 217\) and 1535 cm\-1 nu2 \(Table II\); it names no assignment for 1306 and 3017 cm\-1\. murphy\_1969/ratio\_CH4\_1535 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_CH4_1535", "material": "CH4", "file": "CH4/murphy_1969__ratio_CH4_1535.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 241 (1958)", "Yu. A. Lazarev, Opt. Spectry. 17, 194 (1964)" ], "parameters": { "transition": "nu2 (E) at 1535 cm-1 (per row: whole band or Q branch)", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1 of the 1535 cm\-1 band relative to methane's own A1 band at 4358 A\: whole band \(ref\. 16\) and Q branch \(ref\. 18\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/activity\_CH4\_1535 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_CH4_1535", "material": "CH4", "file": "CH4/murphy_1969__activity_CH4_1535.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 241 (1958)" ], "parameters": { "mode": "nu2 (E), the band at 1535 cm-1 (Table II names it nu2)" } } Table I, scattering activity of the 1535 cm\-1 band \(unit as for activity\_N2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. No uncertainty given\: a weak or broad band, for which the paper says only that the data 'are less accurate' \(abstract\)\. murphy\_1969/rho\_CH4\_nu1 ~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "rho_CH4_nu1", "material": "CH4", "file": "CH4/murphy_1969__rho_CH4_nu1.csv", "table": "tbl_ca70dea8e569", "quantity": "depolarization_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, Spectrochim. Acta 14, 127 (1959)" ], "parameters": { "kind": "raman", "polarization": "natural", "transition": "nu1 (A1) at 2914 cm-1" } } Table I, rho\_nj of the A1 band, printed 0 on the line of ref\. 17 \(Eq\. 3, natural incident light\)\. murphy\_1969/dadQ\_CH4\_nu1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadQ_CH4_nu1", "material": "CH4", "file": "CH4/murphy_1969__dadQ_CH4_nu1.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "angstrom2/amu^(1/2)", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, Spectrochim. Acta 14, 127 (1959)", "Yu. A. Lazarev, Opt. Spectry. 17, 194 (1964)", "H. W. Schrötter and H. J. Bernstein, J. Mol. Spectry. 12, 1 (1964); J. Mol. Spectry. 22, 122 (1967)", "W. Holzer, J. Mol. Spectry. 25, 123 (1968)" ], "parameters": { "component": "mean", "mode": "nu1, the A1 C-H stretch at 2914 cm-1", "coordinate": "Q_1, the mass-weighted normal coordinate" } } Table I, dalpha/dQ of the A1 band \(unit as for dadQ\_N2\), one per reference, none bracketed\. The values follow from the activities with rho = 0, a' = \(S/45\)^\(1/2\)\: ref\. 8's 207 gives 2\.145 \(printed 2\.15\) and ref\. 19's 200 gives 2\.108 \(printed 2\.10\)\. murphy\_1969/dadr\_CH4\_nu1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "dadr_CH4_nu1", "material": "CH4", "file": "CH4/murphy_1969__dadr_CH4_nu1.csv", "table": "tbl_ca70dea8e569", "quantity": "polarizability_derivative", "unit": "cm2", "scale": 1e-16, "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, Spectrochim. Acta 14, 127 (1959)", "Yu. A. Lazarev, Opt. Spectry. 17, 194 (1964)", "H. W. Schrötter and H. J. Bernstein, J. Mol. Spectry. 12, 1 (1964); J. Mol. Spectry. 22, 122 (1967)", "W. Holzer, J. Mol. Spectry. 25, 123 (1968)" ], "parameters": { "component": "mean", "mode": "nu1, the A1 C-H stretch at 2914 cm-1", "coordinate": "r_CH, the bond length (per bond)" } } Table I, dalpha/dr per C\-H bond \(cm^2, column factor 1e\-16\), one per reference, none bracketed\: Eq\. \(5\), dalpha/dQ = \(n/m\_B\)^\(1/2\) dalpha\_CH/dr\_CH with n = 4 and m\_B the mass of H \(p\. 217\)\. Eq\. \(5\) reproduces the printed dalpha/dQ from refs\. 17, 18 and 8 to 0\.01 \(1\.04 \-\> 2\.07, 1\.03 \-\> 2\.05, 1\.08 \-\> 2\.15\), not ref\. 19's \(1\.08 \-\> 2\.15, printed 2\.10\)\. solprop's CH4 1\.04e\-20 m^2 is ref\. 17's row\. murphy\_1969/activity\_CH4\_nu1 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_CH4_nu1", "material": "CH4", "file": "CH4/murphy_1969__activity_CH4_nu1.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "H. W. Schrötter and H. J. Bernstein, J. Mol. Spectry. 12, 1 (1964); J. Mol. Spectry. 22, 122 (1967)", "W. Holzer, J. Mol. Spectry. 25, 123 (1968)" ], "uncertainty": { "relative": 0.1, "level": "bound" }, "parameters": { "mode": "nu1, the A1 C-H stretch at 2914 cm-1" } } Table I, the two measured activities of the A1 band \(refs\. 8 and 19; unit as for activity\_N2\), both lost from the library cells and transcribed from the image\. The paper selects 205 \+\- 5 % as its standard \(activity\_CH4\_nu1\_selected\)\. Uncertainty\: 'For strong and narrow bands, it is estimated that the error in the scattering activity is less than 10%' \(p\. 217\), taken as a bound; the abstract says 'about \+\-5%\-10%'\. murphy\_1969/ratio\_CH4\_3017 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "ratio_CH4_3017", "material": "CH4", "file": "CH4/murphy_1969__ratio_CH4_3017.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_cross_section_ratio", "unit": "1", "abscissa_unit": "angstrom", "wavelength_medium": "standard_air", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 241 (1958)", "Yu. A. Lazarev, Opt. Spectry. 17, 194 (1964)" ], "parameters": { "transition": "the band at 3017 cm-1 (per row: whole band or Q branch)", "reference_material": "CH4", "reference_transition": "nu1 (A1) band at 2914 cm-1, whole band", "geometry": "integrated radiant intensity of the band at 4358 A, observed perpendicular to the polarization of linearly polarized incident light (Eqs. 1-2), multiple-pass cell" } } Table I, I\_j/I\_1 of the 3017 cm\-1 band relative to methane's A1 band at 4358 A\: whole band \(ref\. 16\) and Q branch \(ref\. 18\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. murphy\_1969/activity\_CH4\_3017 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "activity_CH4_3017", "material": "CH4", "file": "CH4/murphy_1969__activity_CH4_3017.csv", "table": "tbl_ca70dea8e569", "quantity": "raman_scattering_activity", "unit": "angstrom4/amu", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "T. Yoshino and H. J. Bernstein, J. Mol. Spectry. 2, 241 (1958)" ], "parameters": { "mode": "the band at 3017 cm-1 (the paper names no assignment)" } } Table I, scattering activity of the 3017 cm\-1 band \(unit as for activity\_N2\)\. Values in brackets \(kept in \`printed\`\) were 'calculated from original literature data' by these authors; the others are the cited paper's \(p\. 217\)\. No uncertainty given\: a weak or broad band, for which the paper says only that the data 'are less accurate' \(abstract\)\. Formulas -------- No formulas are recorded. Corrections ----------- No dataset errata are recorded in this source record. Formula corrections, where recorded, appear with their formulas above. Curation notes may also discuss corrections or unresolved interpretation. Consult the :doc:`review register ` for the checks and decisions.