brodersen_1979#
S. Brodersen, “High-Resolution Rotation-Vibrational Raman Spectroscopy”, in Raman Spectroscopy of Gases and Liquids, A. Weber, ed., Topics in Current Physics 11 (Springer, Berlin, 1979), Chap. 2, pp. 7-70
Source record · Catalogue · Review register
DOI: 10.1007/978-3-642-81279-8
Source kind: compilation
Recorded technique: A review of high-resolution (better than about 0.5 cm-1) rotation-vibration Raman spectra of gases: the theory of the line intensities and selection rules (Sect. 2.1), the photographic grating instruments of Aarhus, Bradford, Dijon, Fordham, Knoxville and Toronto (Sect. 2.2), and the constants derived from the published spectra (Sect. 2.3). Nothing is measured here; the tabulated constants are the cited authors’.
Materials in structured entries: N2, O2, SF6
Dataset quantities: raman_shift, rotational_constant
Contents: 7 datasets; 0 formulas.
Curation notes#
BOOK AND CHAPTER. The library copy (Weber_1979_RamanSpectroscopyGases; Unverified_6d54463e97c7 until the library validated it, 2026-09-27: the same tables) is the whole book: ‘Raman Spectroscopy of Gases and Liquids’, edited by A. Weber, Topics in Current Physics 11, Springer-Verlag Berlin Heidelberg 1979 (ISBN-13 978-3-642-81281-1, e-ISBN-13 978-3-642-81279-8, DOI 10.1007/978-3-642-81279-8, the book’s DOI; no chapter DOI is printed). Identity checked against the title and copyright pages and the contents (pdf pp. 3-11). This record is Chapter 2, by S. Brodersen (Kemisk Institut, Aarhus University), pp. 7-70 (pdf pages 19-81; Table 2.3 is on pdf page 53 = p. 41). The other chapters used: weber_1979 (Chap. 3), schrotter_1979 (Chap. 4).
WHAT IS TAKEN. Table 2.3 (p. 41), ‘Constants for isotopic species of nitrogen, determined from Raman spectra [2.62]’: the 14N2 row only, B_0, D_0, nu_0 and alpha, all reproduced from [2.62] J. Bendtsen, J. Raman Spectrosc. 2, 133 (1974) (curated as bendtsen_1974), and digit-identical with it: B_0 1.989574(12) and D_0 5.76(3)e-6 are Bendtsen’s Table VII pure rotational values, nu_0 2329.917 his unconstrained 2329.9168 rounded, alpha 0.017292(3) his Table VIII unconstrained value. ‘Standard errors are given in parentheses in units of the last decimal. nu_0 values are accurate to +-0.01 cm-1’ (the table note). Not taken: r_e = 1.097700(7) A (no quantity; Bendtsen’s Table IX), and the isotopologues 14N15N (B_0 1.923596(9), D_0 5.38(3)e-6, nu_0 2291.332, alpha 0.016416(2), r_e 1.097702(4)) and 15N2 (1.857624(16), 5.08(5)e-6, 2252.125, 0.015575(2), 1.097700(8)), which agree with bendtsen_1974’s notes. Chapter 3’s Table 3.2 (weber_1979) prints the 14N15N D_0 of the same reference as 5.83 +- 0.03: a transposition there (Bendtsen: 5.38).
O2 (text, p. 44), reproduced from [2.38] M. Loëte and H. Berger, J. Mol. Spectrosc. 68, 317 (1977), the fundamental band of 16O2 recorded at Dijon: ‘their constants B_1 = 1.421884 +- 0.000013 cm^-1 and D_1 = (-4.864 +- 0.014) 10^-6 cm^-1 are the best known presently. The value for nu_0 = 1556.384 +- 0.010 cm^-1 is precisely equal to the one obtained by FLETCHER and RAYSIDE [2.51]’ (J. Raman Spectrosc. 2, 3 (1974)). B_1 and nu_0 are taken as inline points (text_B1_O2, text_nu0_O2). D_1 is printed with a minus sign (image checked) in Loëte and Berger’s sign convention, which the chapter does not state, against the positive D of the usual F = B N(N + 1) - D [N(N + 1)]^2 (weber_1979’s Eq. 3.1, D_0(16O2) = +4.852e-6): recorded here in the notes only, not as a dataset, so that its sign cannot be misread. The spin-splitting constants are ‘determined better from microwave data [2.64]’ (Amano and Hirota, J. Mol. Spectrosc. 53, 346 (1974)).
NOT TAKEN (out of scope or not a curated quantity): the tritium Q branch (3H2: nu_0 = 2464.324 +- 0.001 cm^-1, B_1 - B_0 = -0.5856 +- 0.0002, D_1 - D_0 = (-2.94 +- 0.07)e-4, B_e = 20.3314 +- 0.0006, D_e = (5.14 +- 0.04)e-3, r_e = 0.74151 +- 0.00002 A, Edwards, p. 41); F2 nu_0 = 892.02 +- 0.03 (p. 41); acetylene (Table 2.4), cyanogen, carbon suboxide, HCN and DCN (pp. 44-47), the C3v, symmetric and asymmetric tops (Sect. 2.3.3-2.3.5, Tables 2.5-2.6: out of scope per the list of requested papers), CD4 (B_0 = 2.63264 +- 0.00013, D_0 = (2.74 +- 0.15)e-5 cm^-1, p. 66), SiH4 and SiD4. For 12CO2, 13CO2 and CS2 ‘there exist unpublished laser spectra, but they seem to give only marginal information’ (p. 40): no constants. Nothing on N2O. CH4 (pp. 63-65): the nu2 band analysed by Champion with the ground-state constants constrained to Tarrago et al.’s infrared values, the nu1 and nu3 structure not analysed: no constant is printed. SF6 (p. 66): ‘The nu2 band has recently been studied on the Dijon instrument by Berger et al. [2.41] yielding B_0 = 0.09111 +- 0.00005 cm^-1’ (image checked), taken as text_B0_SF6 (reproduced); Rubin et al.’s [2.123] fundamental estimates are not printed. Figures 2.7-2.8 (the N2 and O2 fundamental bands) and 2.18-2.19 are spectra: nothing digitised.
ISOTOPOLOGUES. The material N2 is 14N2 and O2 is 16O2 (the main isotopologues); the others are in these notes only. Wavenumbers are vacuum wavenumbers in cm^-1 as usual for these constants (the chapter does not say).
Recorded bibliographic identity status: VALIDATED_WITH_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents.
Datasets#
brodersen_1979/table2_3_B0_N2#
{
"id": "table2_3_B0_N2",
"material": "N2",
"file": "N2/brodersen_1979__table2_3_B0_N2.csv",
"table": "tbl_ec367a2c12bf",
"quantity": "rotational_constant",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"bendtsen_1974"
],
"uncertainty": {
"column": true,
"level": "1 sigma"
},
"parameters": {
"constant": "B",
"vibrational_state_v": 0,
"isotopologue": "14N2"
}
}
Table 2.3 (p. 41), B_0 of 14N2, 1.989574(12), reproduced from [2.62] Bendtsen (bendtsen_1974 table7_B0_rot_N2, digit-identical). The parenthesised standard error in units of the last decimal.
brodersen_1979/table2_3_D0_N2#
{
"id": "table2_3_D0_N2",
"material": "N2",
"file": "N2/brodersen_1979__table2_3_D0_N2.csv",
"table": "tbl_ec367a2c12bf",
"quantity": "rotational_constant",
"unit": "cm-1",
"scale": 1e-06,
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"bendtsen_1974"
],
"uncertainty": {
"column": true,
"level": "1 sigma"
},
"parameters": {
"constant": "D",
"vibrational_state_v": 0,
"isotopologue": "14N2"
}
}
Table 2.3 (p. 41), D_0 of 14N2, 5.76(3) x 10^-6, reproduced from [2.62] Bendtsen (bendtsen_1974 table7_D_rot_N2). The parenthesised standard error in units of the last decimal.
brodersen_1979/table2_3_nu0_N2#
{
"id": "table2_3_nu0_N2",
"material": "N2",
"file": "N2/brodersen_1979__table2_3_nu0_N2.csv",
"table": "tbl_ec367a2c12bf",
"quantity": "raman_shift",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"bendtsen_1974"
],
"uncertainty": {
"absolute": 0.01,
"level": "not stated"
},
"parameters": {
"transition": "v = 0 -> 1 band origin nu_0",
"isotopologue": "14N2"
}
}
Table 2.3 (p. 41), the band origin nu_0 of the 14N2 fundamental, 2329.917, reproduced from [2.62] Bendtsen (bendtsen_1974 table7_nu0_unconstrained_N2, 2329.9168 rounded). ‘nu_0 values are accurate to +-0.01 cm^-1’ (the table note; level not stated).
brodersen_1979/table2_3_alpha_N2#
{
"id": "table2_3_alpha_N2",
"material": "N2",
"file": "N2/brodersen_1979__table2_3_alpha_N2.csv",
"table": "tbl_ec367a2c12bf",
"quantity": "rotational_constant",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"bendtsen_1974"
],
"uncertainty": {
"column": true,
"level": "1 sigma"
},
"parameters": {
"constant": "alpha_e",
"isotopologue": "14N2"
}
}
Table 2.3 (p. 41), alpha of 14N2, 0.017292(3), reproduced from [2.62] Bendtsen (bendtsen_1974 table8_alpha_unconstrained_N2: (B_0 - B_1) + 2 gamma with an assumed gamma). The parenthesised standard error in units of the last decimal.
brodersen_1979/text_B1_O2#
{
"id": "text_B1_O2",
"material": "O2",
"table": "text",
"quantity": "rotational_constant",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"M. Loëte and H. Berger, J. Mol. Spectrosc. 68, 317 (1977)"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"constant": "B",
"vibrational_state_v": 1,
"isotopologue": "16O2",
"electronic_state": "X 3Sigma_g-"
}
}
1 inline points in the source record.
p. 44 (text): B_1 = 1.421884 +- 0.000013 cm^-1 of 16O2 X 3Sigma_g- (v = 1), from Loëte and Berger’s analysis of the fundamental band (O, Q and S branches with spin satellites, Dijon, about 0.05-0.15 cm^-1 resolution): ‘the best known presently’. The +- level is not stated. The N(N + 1) ladder of the triplet ground state (the spin-splitting constants from microwave data).
brodersen_1979/text_nu0_O2#
{
"id": "text_nu0_O2",
"material": "O2",
"table": "text",
"quantity": "raman_shift",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"M. Loëte and H. Berger, J. Mol. Spectrosc. 68, 317 (1977)",
"W. H. Fletcher and J. S. Rayside, J. Raman Spectrosc. 2, 3 (1974)"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"transition": "v = 0 -> 1 band origin nu_0",
"isotopologue": "16O2"
}
}
1 inline points in the source record.
p. 44 (text): ‘The value for nu_0 = 1556.384 +- 0.010 cm^-1 is precisely equal to the one obtained by FLETCHER and RAYSIDE [2.51]’: the band origin of the 16O2 fundamental from Loëte and Berger [2.38]. The +- level is not stated.
brodersen_1979/text_B0_SF6#
{
"id": "text_B0_SF6",
"material": "SF6",
"table": "text",
"quantity": "rotational_constant",
"unit": "cm-1",
"abscissa": "label",
"use": "reproduced",
"reproduced_from": [
"H. Berger, A. Aboumajd and R. Saint-Loup, J. Phys. Lettres 38, 373 (1977)"
],
"uncertainty": {
"column": true,
"level": "not stated"
},
"parameters": {
"constant": "B",
"vibrational_state_v": 0,
"isotopologue": "32SF6 (natural SF6; not stated)"
}
}
1 inline points in the source record.
p. 66 (text, image checked): ‘The nu2 band has recently been studied on the Dijon instrument by Berger et al. [2.41] yielding B_0 = 0.09111 +- 0.00005 cm^-1’ (reference printed ‘Berger, H., Aboumajd, A., Saint.Loup, R.: J. Phys. Lettres 38, 373 (1977)’). The ground-state rotational constant of SF6 (a spherical top, point group O_h) from the rotation-vibration Raman nu2 band; the +- level is not stated; the isotopologue is the natural gas’s main one (32SF6), not stated.
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 review register for the checks and decisions.