rouille_1992 ============ G\. Rouille, G\. Millot, R\. Saint\-Loup and H\. Berger, "High\-resolution stimulated Raman spectroscopy of O2", J\. Mol\. Spectrosc\. 154, 372 \(1992\) `Source record `__ · :doc:`Catalogue ` · :doc:`Review register ` DOI: `10\.1016/0022\-2852\(92\)90215\-a `__ **Source kind:** measurement **Recorded technique:** High\-resolution quasi\-cw stimulated Raman spectroscopy \(Dijon; pp\. 374\-375\)\: a pulsed pump \(a single\-mode ring dye laser amplified by a PDA pumped at 532 nm, 7 ns, 25 Hz, about 350 kW\) and a 1 MHz single\-mode krypton\-ion probe, collinear, same polarisation, in a 25\-pass cell; frequencies from a Michelson wavemeter referenced to an iodine\-stabilised He\-Ne \(3 MHz\) and a Fabry\-Perot marker\. O2 at room temperature \(295 K, Fig\. 2\) and 30 Torr for the 1\-0 band's ^SS and ^OO triplets, each fitted with a Voigt profile; the Q branches of the fundamental and the first two hot bands in a furnace cell \(Ref\. 15, Millot et al\. 1992\), without the multipass cell\. Constants from weighted least\-squares fits of the Hamiltonian, Eqs\. \(1\)\-\(10\), with microwave data \(Refs\. 5, 6\), and of Eq\. \(11\) \(spin ignored\) for the Q branches\. **Materials in structured entries:** O2 **Dataset quantities:** raman\_shift, rotational\_constant **Contents:** 54 datasets; 2 formulas. Curation notes -------------- Identity checked against the first page\. PAGES\: pdf page n is journal p\. 371 \+ n \(Table I p\. 376, Table II p\. 377, Table III p\. 378, Table IV p\. 379, Tables V and VI p\. 381\)\. MATERIAL\: 16O2 \(the material O2\), X 3Sigma\_g\-; only odd N exist \(the 16O nuclear spin is zero, p\. 374\)\. Room temperature; the ortho/para question does not arise\. CONVENTIONS \(pp\. 372\-374\)\. H = H\_vib \+ H1 \+ H2 \+ H3 \(Eqs\. 1\-4\)\: H1 = B\_v N^2 \+ \(2/3\) lambda\_v \(3 S\_z^2 \- S^2\) \+ mu\_v N\.S; H2 = \-D\_v N^4 \+ \(2/3\) lambda\_v' N^2 \(3 S\_z^2 \- S^2\) \+ mu\_v' N^2 N\.S \+ mu\_v''' \(N\.S\)^2; H3 = H\_v N^6 \+ \(2/3\) lambda\_v'' N^4 \(\.\.\.\) \+ mu\_v'' N^4 N\.S, Hund's case \(b\)\. mu\_v is the spin\-rotation constant \(gamma in yu\_2012\), lambda\_v the spin\-spin constant \(yu\_2012 tabulates 4 lambda\)\. D\_v is positive\. The level energies are Eqs\. \(5\)\-\(10\) \(formula eq5\_levels\)\. Lines are labelled ^{Delta N}{Delta J}\(N, J\) with N and J of the lower level\: SS\(N,J\), OO\(N,J\), QQ\(N,J\) here\. Wavenumbers in vacuum cm\-1 \(Table II's caption\: 'Vacuum Wavenumbers'\); the Zink\-Mizushima MHz converted with c = 299 792 458 m/s \(p\. 375\)\. UNCERTAINTIES\. Tables I \(this work\), III and VI\: 'Numbers in Parentheses Are One Standard Deviation in Units of the Last Digit Quoted' \(captions; Table I's applies to 'our results' only\)\. Table V\: 'Numbers in Parentheses Indicate Experimental Precision'\. Table II\: no per\-line error; all Raman lines were weighted with 'the same absolute precision, 1 x 10^\-3 cm\-1' and the fit's standard deviation is 5 x 10^\-4 cm\-1 for the Raman data, 7 x 10^\-7 cm\-1 for the microwave data \(p\. 378\); the v = 0 fit's is 1 x 10^\-6 cm\-1 \(Table I\)\. WHAT IS FIXED \(not taken\)\. Table I\: mu\_0''' = 0 \('arbitrarily fixed'\)\. Table III\: H\_1 = H\_0 = 2\.8e\-12, lambda\_1'' = lambda\_0'' = 1\.103e\-11, mu\_1'' = mu\_0'' = \-4\.7e\-14 \(note a; freed, they gave lambda\_1'' 7\.6\(55\)e\-12 and mu\_1'' \-8\.6\(52\)e\-13 cm\-1, p\. 379\), mu\_1''' = 0 \(note b\); Endo and Mizushima's D\_1 = 4\.96560e\-6 \(fixed, note b\)\. Table VI\: H\_v, lambda\_v'', mu\_v'' and mu\_v''' of v = 2, 3 are the v = 0 values or 0\. The Q\-branch fit \(Eq\. 11, spin ignored\) gives nu\_10 = 1556\.38820\(21\) and B\_1 \- B\_0 = \-0\.01581008\(31\) cm\-1 \(text, p\. 379; the Table I and III constants give B\_1 \- B\_0 = \-0\.01581194 and nu\_10 = 1556\.38991\), 'in good agreement \.\.\. in spite of the difference between the models'; D\_v \- D\_\(v\-1\) and H\_v were fixed to zero there \(formula eq11\_q\_branch\)\. THE DISAGREEMENT WITH Ref\. 5 \(p\. 375\)\: refitting Zink and Mizushima's data gives H\_0 = 2\.8\(16\)e\-12, 'not in good agreement with Ref\. \(4\)' \(Welch and Mizushima 1972\), and a D\_0 uncertainty two orders of magnitude smaller than theirs; 'since we could not explain these discrepancies' the v = 0 constants of this work were used\. LINEWIDTHS\. None tabulated\: Fig\. 2 \(the SS\(11\) triplet at 295 K, 30 Torr\) is fitted with a Voigt profile, widths not given\. The O2 collisional widths are in millot\_1992 \(Ref\. 15\)\. Figures \(not digitised\)\: Fig\. 2 the SS\(11\) triplet; Fig\. 3 the Q branches of the three bands\. TABLE IV \(p\. 379\)\: the calculated QQ\(N,J\) triplet components of this work \(from Tables I and III; use check\) and of Dang\-Nhu et al\. \(Ref\. 14, magnetic\-dipole predictions from literature constants; reproduced\), against the unresolved Q\(N\) of Table V\: 'differences greater than 0\.08 cm\-1 appear for N = 29' for Ref\. 14\. The observed column repeats Table V \(not written twice\)\. RELATION TO OTHER RECORDS\. yu\_2012's global Dunham fit includes this paper's 1\-0 lines and the 2\-1, 3\-2 Q\-branch data \(its Sec\. IV B\)\. Against yu\_2012's Table III \(MHz / 29979\.2458, checked 2026\-09\-27\)\: B\_0 43100\.44712 MHz = 1\.43767616 cm\-1 \(this work 1\.437676476\); 4 lambda\_0 238005\.3746 MHz gives lambda\_0 = 1\.98475119 \(1\.984751322\); gamma\_0 \-252\.586311 MHz = \-0\.00842537 \(mu\_0 \-0\.00842539\); B\_1 42626\.4203 MHz = 1\.42186433 \(1\.42186454\)\: agreement to 3e\-7 cm\-1\. hajigeorgiou\_2013's Table I B\_v \(from yu\_2012's Dunham fit\) for v = 2, 3\: 1\.40611975 and 1\.39042517, against Table VI's 1\.4061199\(12\) and 1\.390425\(20\)\: within 2e\-7 cm\-1\. **Recorded bibliographic identity status:** VALIDATED\_WITH\_WARNINGS. This concerns identification of the source; it does not establish the scientific correctness of its contents. Datasets -------- rouille\_1992/table2\_SS ~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table2_SS", "material": "O2", "file": "O2/rouille_1992__table2_SS.csv", "table": "tbl_be0dee4f0c09", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "absolute": 0.001, "level": "not stated" }, "parameters": { "transition": "SS(N,J): v = 0 -> 1, Delta N = Delta J = +2, per row" } } Table II \(p\. 377\)\: the ^SS\(N, J\) lines of the 16O2 1\-0 band, N = 1\-25 \(odd\), the three triplet components J = N \+ 1, N, N \- 1 \(rows SS\(N,J\), lower\-level N and J\), vacuum wavenumbers, 295 K, 30 Torr \(pressure shift not removed; 0\.04 amagat\)\. Each triplet fitted with Voigt profiles\. Obs\. \- calc\. \(10^\-4 cm\-1\) in printed\. All Raman lines weighted at 1e\-3 cm\-1; the fit's standard deviation for them 5e\-4 cm\-1 \(p\. 378\)\: recorded as a 1e\-3 absolute uncertainty \(level not stated\)\. rouille\_1992/table2\_OO ~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table2_OO", "material": "O2", "file": "O2/rouille_1992__table2_OO.csv", "table": "tbl_be0dee4f0c09", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "absolute": 0.001, "level": "not stated" }, "parameters": { "transition": "OO(N,J): v = 0 -> 1, Delta N = Delta J = -2, per row" } } Table II \(p\. 377\)\: the ^OO\(N, J\) lines of the 1\-0 band, N = 3\-21 \(odd\), the three components J = N \+ 1, N, N \- 1 \(rows OO\(N,J\), lower level\), vacuum wavenumbers, 295 K, 30 Torr\. As table2\_SS\. rouille\_1992/table4\_this\_work ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table4_this_work", "material": "O2", "file": "O2/rouille_1992__table4_this_work.csv", "table": "tbl_592310ecda73", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "check", "parameters": { "transition": "QQ(N,J): v = 0 -> 1, Delta N = Delta J = 0, per row" } } Table IV \(p\. 379\), 'This work \(calc\.\)'\: the QQ\(N,J\) triplet components of the 1\-0 Q branch for N = 3, 23, 29, calculated from the Table I and III constants \(formula eq5\_levels reproduces them exactly\)\. Calculated\: check\. The observed unresolved lines are Table V's\. rouille\_1992/table4\_dang\_nhu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table4_dang_nhu", "material": "O2", "file": "O2/rouille_1992__table4_dang_nhu.csv", "table": "tbl_592310ecda73", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "M. Dang-Nhu, R. Zander, A. Goldman and C. P. Rinsland, J. Mol. Spectrosc. 144, 366 (1990)" ], "parameters": { "transition": "QQ(N,J): v = 0 -> 1, Delta N = Delta J = 0, per row" } } Table IV \(p\. 379\), '\(14\) \(calc\.\)'\: the magnetic\-dipole Q\-branch transitions 'calculated by Dang\-Nhu et al\. \(14\) from molecular constants found in several references'; 0\.08 cm\-1 off at N = 29 \(p\. 379\)\. QQ\(29,29\) not given\. rouille\_1992/table5\_Q\_10 ~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table5_Q_10", "material": "O2", "file": "O2/rouille_1992__table5_Q_10.csv", "table": "tbl_9c9d20888448", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "transition": "Q(N): v = 0 -> 1, Delta N = 0, unresolved triplet, per row" } } Table V \(p\. 381\), 'Fundamental band'\: the unresolved Q\(N\) lines of the 1\-0 band, N = 1\-23, 29, 39\-55 \(the column header prints J; Table IV labels the same lines Q\(N\); spin structure unresolved\), with the 'experimental precision' in parentheses \(the sigma column\)\. Room temperature for low N, the furnace \(Ref\. 15\) for high N \(temperature not stated\)\. rouille\_1992/table5\_Q\_21 ~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table5_Q_21", "material": "O2", "file": "O2/rouille_1992__table5_Q_21.csv", "table": "tbl_9c9d20888448", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "transition": "Q(N): v = 1 -> 2, Delta N = 0, unresolved triplet, per row" } } Table V \(p\. 381\), 'First hot\-band'\: Q\(N\) of the 2\-1 band, N = 1\-39 \(odd\), recorded in the furnace \(first observation, p\. 372\), 'experimental precision' in parentheses\. rouille\_1992/table5\_Q\_32 ~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table5_Q_32", "material": "O2", "file": "O2/rouille_1992__table5_Q_32.csv", "table": "tbl_9c9d20888448", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "transition": "Q(N): v = 2 -> 3, Delta N = 0, unresolved triplet, per row" } } Table V \(p\. 381\), 'Second hot\-band'\: Q\(N\) of the 3\-2 band, N = 1\-11 \(odd\), 'experimental precision' in parentheses\. rouille\_1992/table1\_this\_work\_B ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_B", "material": "O2", "file": "O2/rouille_1992__table1_this_work_B.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "B, the rotational constant of Eq. (2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_zink\_B ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_zink_B", "material": "O2", "file": "O2/rouille_1992__table1_zink_B.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "L. R. Zink and M. Mizushima, J. Mol. Spectrosc. 125, 154 (1987)" ], "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "constant": "B, the rotational constant of Eq. (2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), column '\(5\)' \(Ref\. 5\), 16O2 X 3Sigma\_g\-, v = 0, as this paper prints it for comparison\. rouille\_1992/table1\_this\_work\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_D", "material": "O2", "file": "O2/rouille_1992__table1_this_work_D.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "D, the centrifugal distortion constant, -D_v N^4 of Eq. (3) (positive) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_zink\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_zink_D", "material": "O2", "file": "O2/rouille_1992__table1_zink_D.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "L. R. Zink and M. Mizushima, J. Mol. Spectrosc. 125, 154 (1987)" ], "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "constant": "D, the centrifugal distortion constant, -D_v N^4 of Eq. (3) (positive) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), column '\(5\)' \(Ref\. 5\), 16O2 X 3Sigma\_g\-, v = 0, as this paper prints it for comparison\. rouille\_1992/table1\_this\_work\_H ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_H", "material": "O2", "file": "O2/rouille_1992__table1_this_work_H.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-12, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "H, the N^6 coefficient of Eq. (4) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_this\_work\_lambda ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_lambda", "material": "O2", "file": "O2/rouille_1992__table1_this_work_lambda.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda, the spin-spin constant of Eq. (2), (2/3) lambda_v (3 S_z^2 - S^2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_zink\_lambda ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_zink_lambda", "material": "O2", "file": "O2/rouille_1992__table1_zink_lambda.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "L. R. Zink and M. Mizushima, J. Mol. Spectrosc. 125, 154 (1987)" ], "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "constant": "lambda, the spin-spin constant of Eq. (2), (2/3) lambda_v (3 S_z^2 - S^2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), column '\(5\)' \(Ref\. 5\), 16O2 X 3Sigma\_g\-, v = 0, as this paper prints it for comparison\. rouille\_1992/table1\_this\_work\_lambda\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_lambda_D", "material": "O2", "file": "O2/rouille_1992__table1_this_work_lambda_D.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda', the N^2 coefficient of the spin-spin term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_zink\_lambda\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_zink_lambda_D", "material": "O2", "file": "O2/rouille_1992__table1_zink_lambda_D.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "L. R. Zink and M. Mizushima, J. Mol. Spectrosc. 125, 154 (1987)" ], "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "constant": "lambda', the N^2 coefficient of the spin-spin term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), column '\(5\)' \(Ref\. 5\), 16O2 X 3Sigma\_g\-, v = 0, as this paper prints it for comparison\. rouille\_1992/table1\_this\_work\_lambda\_H ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_lambda_H", "material": "O2", "file": "O2/rouille_1992__table1_this_work_lambda_H.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-11, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda'', the N^4 coefficient of the spin-spin term, Eq. (4) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_zink\_lambda\_H ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_zink_lambda_H", "material": "O2", "file": "O2/rouille_1992__table1_zink_lambda_H.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-11, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "L. R. Zink and M. Mizushima, J. Mol. Spectrosc. 125, 154 (1987)" ], "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "constant": "lambda'', the N^4 coefficient of the spin-spin term, Eq. (4) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), column '\(5\)' \(Ref\. 5\), 16O2 X 3Sigma\_g\-, v = 0, as this paper prints it for comparison\. rouille\_1992/table1\_this\_work\_mu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_mu", "material": "O2", "file": "O2/rouille_1992__table1_this_work_mu.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 0.001, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu, the spin-rotation constant of Eq. (2), mu_v N.S (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_zink\_mu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_zink_mu", "material": "O2", "file": "O2/rouille_1992__table1_zink_mu.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 0.001, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "L. R. Zink and M. Mizushima, J. Mol. Spectrosc. 125, 154 (1987)" ], "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "constant": "mu, the spin-rotation constant of Eq. (2), mu_v N.S (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), column '\(5\)' \(Ref\. 5\), 16O2 X 3Sigma\_g\-, v = 0, as this paper prints it for comparison\. rouille\_1992/table1\_this\_work\_mu\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_mu_D", "material": "O2", "file": "O2/rouille_1992__table1_this_work_mu_D.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-09, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu', the N^2 coefficient of the spin-rotation term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_zink\_mu\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_zink_mu_D", "material": "O2", "file": "O2/rouille_1992__table1_zink_mu_D.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-09, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "L. R. Zink and M. Mizushima, J. Mol. Spectrosc. 125, 154 (1987)" ], "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "constant": "mu', the N^2 coefficient of the spin-rotation term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), column '\(5\)' \(Ref\. 5\), 16O2 X 3Sigma\_g\-, v = 0, as this paper prints it for comparison\. rouille\_1992/table1\_this\_work\_mu\_H ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_this_work_mu_H", "material": "O2", "file": "O2/rouille_1992__table1_this_work_mu_H.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-14, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu'', the N^4 coefficient of the spin-rotation term, Eq. (4) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), this work, 16O2 X 3Sigma\_g\-, v = 0 \(the row 0\)\: fitted by this paper to Zink and Mizushima's microwave data \(Ref\. 5\), mu''' fixed at 0; the lower\-state constants held fixed in the v = 1 fit \(p\. 375\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table1\_zink\_mu\_H ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table1_zink_mu_H", "material": "O2", "file": "O2/rouille_1992__table1_zink_mu_H.csv", "table": "tbl_02cb213c6e14", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-14, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "L. R. Zink and M. Mizushima, J. Mol. Spectrosc. 125, 154 (1987)" ], "uncertainty": { "column": true, "level": "not stated" }, "parameters": { "constant": "mu'', the N^4 coefficient of the spin-rotation term, Eq. (4) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table I \(p\. 376\), column '\(5\)' \(Ref\. 5\), 16O2 X 3Sigma\_g\-, v = 0, as this paper prints it for comparison\. rouille\_1992/table3\_this\_work\_B ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_this_work_B", "material": "O2", "file": "O2/rouille_1992__table3_this_work_B.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "B, the rotational constant of Eq. (2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), this work, 16O2 X 3Sigma\_g\-, v = 1 \(the row 1\)\: the v = 1 fit to the 69 Raman lines of Table II and 19 microwave lines of Ref\. 6 \(p\. 375\); H\_1, lambda\_1'' and mu\_1'' fixed to v = 0 \(note a\), mu\_1''' to 0 \(note b\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table3\_endo\_B ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_endo_B", "material": "O2", "file": "O2/rouille_1992__table3_endo_B.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "Y. Endo and M. Mizushima, Jpn. J. Appl. Phys. 21, L379 (1982)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "B, the rotational constant of Eq. (2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(6\)' \(Ref\. 6\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_loete\_B ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_loete_B", "material": "O2", "file": "O2/rouille_1992__table3_loete_B.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "M. Loete and H. Berger, J. Mol. Spectrosc. 68, 317 (1977)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "B, the rotational constant of Eq. (2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(7\)' \(Ref\. 7\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_albritton\_B ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_albritton_B", "material": "O2", "file": "O2/rouille_1992__table3_albritton_B.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "D. L. Albritton, W. J. Harrop, A. L. Schmeltekopf and R. N. Zare, J. Mol. Spectrosc. 46, 103 (1973)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "B, the rotational constant of Eq. (2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(16\)' \(Ref\. 16\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_this\_work\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_this_work_D", "material": "O2", "file": "O2/rouille_1992__table3_this_work_D.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "D, the centrifugal distortion constant, -D_v N^4 of Eq. (3) (positive) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), this work, 16O2 X 3Sigma\_g\-, v = 1 \(the row 1\)\: the v = 1 fit to the 69 Raman lines of Table II and 19 microwave lines of Ref\. 6 \(p\. 375\); H\_1, lambda\_1'' and mu\_1'' fixed to v = 0 \(note a\), mu\_1''' to 0 \(note b\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table3\_loete\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_loete_D", "material": "O2", "file": "O2/rouille_1992__table3_loete_D.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "M. Loete and H. Berger, J. Mol. Spectrosc. 68, 317 (1977)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "D, the centrifugal distortion constant, -D_v N^4 of Eq. (3) (positive) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(7\)' \(Ref\. 7\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_albritton\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_albritton_D", "material": "O2", "file": "O2/rouille_1992__table3_albritton_D.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "D. L. Albritton, W. J. Harrop, A. L. Schmeltekopf and R. N. Zare, J. Mol. Spectrosc. 46, 103 (1973)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "D, the centrifugal distortion constant, -D_v N^4 of Eq. (3) (positive) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(16\)' \(Ref\. 16\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_this\_work\_lambda ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_this_work_lambda", "material": "O2", "file": "O2/rouille_1992__table3_this_work_lambda.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda, the spin-spin constant of Eq. (2), (2/3) lambda_v (3 S_z^2 - S^2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), this work, 16O2 X 3Sigma\_g\-, v = 1 \(the row 1\)\: the v = 1 fit to the 69 Raman lines of Table II and 19 microwave lines of Ref\. 6 \(p\. 375\); H\_1, lambda\_1'' and mu\_1'' fixed to v = 0 \(note a\), mu\_1''' to 0 \(note b\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table3\_endo\_lambda ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_endo_lambda", "material": "O2", "file": "O2/rouille_1992__table3_endo_lambda.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "Y. Endo and M. Mizushima, Jpn. J. Appl. Phys. 21, L379 (1982)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda, the spin-spin constant of Eq. (2), (2/3) lambda_v (3 S_z^2 - S^2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(6\)' \(Ref\. 6\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_loete\_lambda ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_loete_lambda", "material": "O2", "file": "O2/rouille_1992__table3_loete_lambda.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "M. Loete and H. Berger, J. Mol. Spectrosc. 68, 317 (1977)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda, the spin-spin constant of Eq. (2), (2/3) lambda_v (3 S_z^2 - S^2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(7\)' \(Ref\. 7\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_albritton\_lambda ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_albritton_lambda", "material": "O2", "file": "O2/rouille_1992__table3_albritton_lambda.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "D. L. Albritton, W. J. Harrop, A. L. Schmeltekopf and R. N. Zare, J. Mol. Spectrosc. 46, 103 (1973)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda, the spin-spin constant of Eq. (2), (2/3) lambda_v (3 S_z^2 - S^2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(16\)' \(Ref\. 16\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_this\_work\_lambda\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_this_work_lambda_D", "material": "O2", "file": "O2/rouille_1992__table3_this_work_lambda_D.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda', the N^2 coefficient of the spin-spin term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), this work, 16O2 X 3Sigma\_g\-, v = 1 \(the row 1\)\: the v = 1 fit to the 69 Raman lines of Table II and 19 microwave lines of Ref\. 6 \(p\. 375\); H\_1, lambda\_1'' and mu\_1'' fixed to v = 0 \(note a\), mu\_1''' to 0 \(note b\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table3\_endo\_lambda\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_endo_lambda_D", "material": "O2", "file": "O2/rouille_1992__table3_endo_lambda_D.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "Y. Endo and M. Mizushima, Jpn. J. Appl. Phys. 21, L379 (1982)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda', the N^2 coefficient of the spin-spin term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(6\)' \(Ref\. 6\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_endo\_lambda\_H ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_endo_lambda_H", "material": "O2", "file": "O2/rouille_1992__table3_endo_lambda_H.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-12, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "Y. Endo and M. Mizushima, Jpn. J. Appl. Phys. 21, L379 (1982)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda'', the N^4 coefficient of the spin-spin term, Eq. (4) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(6\)' \(Ref\. 6\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_this\_work\_mu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_this_work_mu", "material": "O2", "file": "O2/rouille_1992__table3_this_work_mu.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 0.001, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu, the spin-rotation constant of Eq. (2), mu_v N.S (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), this work, 16O2 X 3Sigma\_g\-, v = 1 \(the row 1\)\: the v = 1 fit to the 69 Raman lines of Table II and 19 microwave lines of Ref\. 6 \(p\. 375\); H\_1, lambda\_1'' and mu\_1'' fixed to v = 0 \(note a\), mu\_1''' to 0 \(note b\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table3\_endo\_mu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_endo_mu", "material": "O2", "file": "O2/rouille_1992__table3_endo_mu.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 0.001, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "Y. Endo and M. Mizushima, Jpn. J. Appl. Phys. 21, L379 (1982)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu, the spin-rotation constant of Eq. (2), mu_v N.S (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(6\)' \(Ref\. 6\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_loete\_mu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_loete_mu", "material": "O2", "file": "O2/rouille_1992__table3_loete_mu.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 0.001, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "M. Loete and H. Berger, J. Mol. Spectrosc. 68, 317 (1977)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu, the spin-rotation constant of Eq. (2), mu_v N.S (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(7\)' \(Ref\. 7\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_albritton\_mu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_albritton_mu", "material": "O2", "file": "O2/rouille_1992__table3_albritton_mu.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 0.001, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "D. L. Albritton, W. J. Harrop, A. L. Schmeltekopf and R. N. Zare, J. Mol. Spectrosc. 46, 103 (1973)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu, the spin-rotation constant of Eq. (2), mu_v N.S (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(16\)' \(Ref\. 16\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_this\_work\_mu\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_this_work_mu_D", "material": "O2", "file": "O2/rouille_1992__table3_this_work_mu_D.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-09, "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu', the N^2 coefficient of the spin-rotation term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), this work, 16O2 X 3Sigma\_g\-, v = 1 \(the row 1\)\: the v = 1 fit to the 69 Raman lines of Table II and 19 microwave lines of Ref\. 6 \(p\. 375\); H\_1, lambda\_1'' and mu\_1'' fixed to v = 0 \(note a\), mu\_1''' to 0 \(note b\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table3\_endo\_mu\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_endo_mu_D", "material": "O2", "file": "O2/rouille_1992__table3_endo_mu_D.csv", "table": "tbl_b87d755b4ebf", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-09, "abscissa": "label", "use": "reproduced", "reproduced_from": [ "Y. Endo and M. Mizushima, Jpn. J. Appl. Phys. 21, L379 (1982)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu', the N^2 coefficient of the spin-rotation term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table III \(p\. 378\), column '\(6\)' \(Ref\. 6\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_this\_work\_nu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_this_work_nu", "material": "O2", "file": "O2/rouille_1992__table3_this_work_nu.csv", "table": "tbl_b87d755b4ebf", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "transition": "band origin of the v - (v - 1) band, per row (nu_v - nu_(v-1) of Eq. 5, the spin-free vibrational term difference)" } } Table III \(p\. 378\), this work, 16O2 X 3Sigma\_g\-, v = 1 \(the row 1\-0\)\: the 1\-0 band origin nu\_10 = nu\_1 \- nu\_0 of Eq\. \(5\), fitted to the Raman ^SS and ^OO lines of Table II with the microwave lines of Ref\. 6 \(the Raman lines weighted at 1e\-3 cm\-1\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table3\_loete\_nu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_loete_nu", "material": "O2", "file": "O2/rouille_1992__table3_loete_nu.csv", "table": "tbl_b87d755b4ebf", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "M. Loete and H. Berger, J. Mol. Spectrosc. 68, 317 (1977)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "transition": "band origin of the v - (v - 1) band, per row (nu_v - nu_(v-1) of Eq. 5, the spin-free vibrational term difference)" } } Table III \(p\. 378\), column '\(7\)' \(Ref\. 7\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table3\_albritton\_nu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table3_albritton_nu", "material": "O2", "file": "O2/rouille_1992__table3_albritton_nu.csv", "table": "tbl_b87d755b4ebf", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "reproduced", "reproduced_from": [ "D. L. Albritton, W. J. Harrop, A. L. Schmeltekopf and R. N. Zare, J. Mol. Spectrosc. 46, 103 (1973)" ], "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "transition": "band origin of the v - (v - 1) band, per row (nu_v - nu_(v-1) of Eq. 5, the spin-free vibrational term difference)" } } Table III \(p\. 378\), column '\(16\)' \(Ref\. 16\), 16O2 X 3Sigma\_g\-, v = 1, as this paper prints it for comparison\. rouille\_1992/table6\_this\_work\_B ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table6_this_work_B", "material": "O2", "file": "O2/rouille_1992__table6_this_work_B.csv", "table": "tbl_796b518eb4e9", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "B, the rotational constant of Eq. (2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table VI \(p\. 381\), this work, 16O2 X 3Sigma\_g\-, v = 2 and 3 \(the rows 2, 3\)\: note a\: B\_2, B\_3 from the fitted differences B\_2 \- B\_1, B\_3 \- B\_2 \(Eq\. 11\) and this paper's B\_1 \(p\. 379\)\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table6\_this\_work\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table6_this_work_D", "material": "O2", "file": "O2/rouille_1992__table6_this_work_D.csv", "table": "tbl_796b518eb4e9", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "check", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "D, the centrifugal distortion constant, -D_v N^4 of Eq. (3) (positive) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table VI \(p\. 381\), this work, 16O2 X 3Sigma\_g\-, v = 2 and 3 \(the rows 2, 3\)\: EXTRAPOLATED linearly in v from the v = 0 and 1 values \('assuming that they linearly depend on v', p\. 379; reproduced\: 2 x v1 \- v0 and 3 x v1 \- 2 x v0 give the printed values\), not fitted\: check\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table6\_this\_work\_lambda ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table6_this_work_lambda", "material": "O2", "file": "O2/rouille_1992__table6_this_work_lambda.csv", "table": "tbl_796b518eb4e9", "quantity": "rotational_constant", "unit": "cm-1", "abscissa": "label", "use": "check", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda, the spin-spin constant of Eq. (2), (2/3) lambda_v (3 S_z^2 - S^2) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table VI \(p\. 381\), this work, 16O2 X 3Sigma\_g\-, v = 2 and 3 \(the rows 2, 3\)\: EXTRAPOLATED linearly in v from the v = 0 and 1 values \('assuming that they linearly depend on v', p\. 379; reproduced\: 2 x v1 \- v0 and 3 x v1 \- 2 x v0 give the printed values\), not fitted\: check\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table6\_this\_work\_lambda\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table6_this_work_lambda_D", "material": "O2", "file": "O2/rouille_1992__table6_this_work_lambda_D.csv", "table": "tbl_796b518eb4e9", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-06, "abscissa": "label", "use": "check", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "lambda', the N^2 coefficient of the spin-spin term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table VI \(p\. 381\), this work, 16O2 X 3Sigma\_g\-, v = 2 and 3 \(the rows 2, 3\)\: EXTRAPOLATED linearly in v from the v = 0 and 1 values \('assuming that they linearly depend on v', p\. 379; reproduced\: 2 x v1 \- v0 and 3 x v1 \- 2 x v0 give the printed values\), not fitted\: check\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table6\_this\_work\_mu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table6_this_work_mu", "material": "O2", "file": "O2/rouille_1992__table6_this_work_mu.csv", "table": "tbl_796b518eb4e9", "quantity": "rotational_constant", "unit": "cm-1", "scale": 0.001, "abscissa": "label", "use": "check", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu, the spin-rotation constant of Eq. (2), mu_v N.S (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table VI \(p\. 381\), this work, 16O2 X 3Sigma\_g\-, v = 2 and 3 \(the rows 2, 3\)\: EXTRAPOLATED linearly in v from the v = 0 and 1 values \('assuming that they linearly depend on v', p\. 379; reproduced\: 2 x v1 \- v0 and 3 x v1 \- 2 x v0 give the printed values\), not fitted\: check\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table6\_this\_work\_mu\_D ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table6_this_work_mu_D", "material": "O2", "file": "O2/rouille_1992__table6_this_work_mu_D.csv", "table": "tbl_796b518eb4e9", "quantity": "rotational_constant", "unit": "cm-1", "scale": 1e-09, "abscissa": "label", "use": "check", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "constant": "mu', the N^2 coefficient of the spin-rotation term, Eq. (3) (per row: v)", "vibrational_state_v": "per row", "electronic_state": "X 3Sigma_g-" } } Table VI \(p\. 381\), this work, 16O2 X 3Sigma\_g\-, v = 2 and 3 \(the rows 2, 3\)\: EXTRAPOLATED linearly in v from the v = 0 and 1 values \('assuming that they linearly depend on v', p\. 379; reproduced\: 2 x v1 \- v0 and 3 x v1 \- 2 x v0 give the printed values\), not fitted\: check\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. rouille\_1992/table6\_this\_work\_nu ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "table6_this_work_nu", "material": "O2", "file": "O2/rouille_1992__table6_this_work_nu.csv", "table": "tbl_796b518eb4e9", "quantity": "raman_shift", "unit": "cm-1", "abscissa": "label", "use": "primary", "uncertainty": { "column": true, "level": "1 sigma" }, "parameters": { "transition": "band origin of the v - (v - 1) band, per row (nu_v - nu_(v-1) of Eq. 5, the spin-free vibrational term difference)" } } Table VI \(p\. 381\), this work, 16O2 X 3Sigma\_g\-, v = 2 and 3 \(the rows 2\-1, 3\-2\)\: the hot\-band origins nu\_21 and nu\_32 \(rows 2\-1, 3\-2\), note a\: fitted with Eq\. \(11\) \(spin ignored\) to the Q branches of Table V\. Parentheses\: 'one standard deviation in units of the last digit' \(caption\)\. Formulas -------- rouille\_1992/eq5\_levels ~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "eq5_levels", "material": "O2", "equation": "Eqs. (5)-(10), pp. 373-374; Tables I and III, pp. 376, 378", "printed": "E(v, J, N = J) = nu_v + B_v J(J+1) - D_v J^2(J+1)^2 + H_v J^3(J+1)^3 + (2/3) lambda_v + (2/3) lambda_v' J(J+1) + (2/3) lambda_v'' J^2(J+1)^2 - mu_v - mu_v' J(J+1) - mu_v'' J^2(J+1)^2 + mu_v'''; E(v, J, N = J +- 1) = nu_v + B_v (J^2+J+1) - D_v (J^4+2J^3+7J^2+6J+2) + H_v (J^6+3J^5+18J^4+31J^3+33J^2+18J+4) - (1/3) lambda_v - (1/3) lambda_v' (J^2+J+4) - (1/3) lambda_v'' (J^4+2J^3+13J^2+12J+8) - (3/2) mu_v - (1/2) mu_v' (7J^2+7J+4) - (1/2) mu_v'' (11J^4+22J^3+39J^2+28J+8) + (1/2) mu_v''' (2J^2+2J+5) +- F(v, J); F^2 = A^2 + J(J+1) D^2; A = (2J+1)[B_v - 2D_v(J^2+J+1) + H_v(3J^4+6J^3+13J^2+10J+4) - mu_v/2 - (mu_v'/2)(J^2+J+4) - (mu_v''/2)(J^4+2J^3+13J^2+12J+8) + (3/2) mu_v'''] - [lambda_v + (lambda_v'/3)(7J^2+7J+4) + (lambda_v''/3)(11J^4+22J^3+39J^2+28J+8)]/(2J+1); D = 2[lambda_v + lambda_v'(J^2+J+1) + lambda_v''(J^4+2J^3+7J^2+6J+2)]/(2J+1); E(v, J = 0, N = 1) = nu_v + 2B_v - 4D_v + 8H_v - (4/3) lambda_v - (8/3) lambda_v' - (16/3) lambda_v'' - 2 mu_v - 4 mu_v' - 8 mu_v'' + 4 mu_v'''", "variable": "v, N (odd), J = N, N +- 1 of 16O2 X 3Sigma_g-; the + sign of F for N = J + 1, the - sign for N = J - 1 (the sign that reproduces Table II); energies in cm-1 with nu_0 = 0; the coefficients are Tables I (v = 0) and III (v = 1), this work, with the fixed values", "state": "16O2 X 3Sigma_g-, the free molecule", "density": "unknown", "range": "v = 0, 1; N up to 27 (the Raman data) and the microwave data", "coefficients": { "nu_1": "1556.38991", "B_0": "1.437676476", "D_0": "4.84256e-6", "H_0": "2.8e-12", "lambda_0": "1.984751322", "lambda1_0": "1.94521e-6", "lambda2_0": "1.103e-11", "mu_0": "-8.425390e-3", "mu1_0": "-8.106e-9", "mu2_0": "-4.7e-14", "mu3_0": "0", "B_1": "1.42186454", "D_1": "4.8418e-6", "H_1": "2.8e-12", "lambda_1": "1.989578940", "lambda1_1": "2.10924e-6", "lambda2_1": "1.103e-11", "mu_1": "-8.445771e-3", "mu1_1": "-8.264e-9", "mu2_1": "-4.7e-14", "mu3_1": "0" }, "check": "Scratch (2026-09-27): Table II's Obs. - calc. reproduced to within 1.0e-4 cm-1 (the printed O - C are rounded to 1e-4 and the constants to their printed digits): SS(1,2), SS(1,1), SS(1,0), SS(3,4), SS(3,3), SS(3,2) give -6.2, -10.1, -4.6, -3.9, -4.3, -2.3 against -7, -10, -5, -4, -5, -3 (x 1e-4); SS(11,12)-SS(11,10) +2.2, +2.1, +0.2 against 3, 3, 1; SS(25,26) +5.4 against 6; OO(3,4), OO(3,3), OO(3,2) +4.2, +8.7, +1.8 against 5, 9, 2; OO(21,22), OO(21,20) +3.2, -1.2 against 4, -2. Table IV's 'This work (calc.)' QQ lines reproduced exactly to the printed 1e-4 (1556.2021, 1556.2034, 1556.1966, 1547.6612, 1547.6653, 1547.6595, 1542.6374)." } lambda1, lambda2 are lambda', lambda''; mu1, mu2, mu3 are mu', mu'', mu''' \(suffix \_v\: the level\)\. The fixed values \(H\_1, lambda\_1'', mu\_1'' = the v = 0 values; mu''' = 0\) as in the tables\. The per\-constant datasets table1\_this\_work\_\* and table3\_this\_work\_\* hold the same fitted numbers with their standard deviations\. rouille\_1992/eq11\_q\_branch ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. code-block:: text { "id": "eq11_q_branch", "material": "O2", "equation": "Eq. (11), p. 379; Table VI, p. 381", "printed": "E(v, J = N) = nu_v + B_v J(J+1) - D_v J^2(J+1)^2 + H_v J^3(J+1)^3 (the spin ignored); fitted: nu_10 = 1556.38820(21) cm-1, (B_1 - B_0) = -0.01581008(31) cm-1, nu_21, nu_32, (B_2 - B_1), (B_3 - B_2); D_v - D_(v-1) and H_v fixed to zero", "variable": "N (odd, written J in Eq. 11 and Table V); Q(N) = nu_(v,v-1) + (B_v - B_(v-1)) N(N+1) for the v - (v-1) band; wavenumbers in cm-1", "state": "16O2 X 3Sigma_g-", "density": "unknown", "range": "the Q branches of Table V: N = 1-55 (1-0), 1-39 (2-1), 1-11 (3-2)", "coefficients": { "nu_10": "1556.38820", "nu_10_sigma": "0.00021", "dB_10": "-0.01581008", "dB_10_sigma": "0.00000031", "nu_21": "1532.86724", "nu_21_sigma": "0.00026", "nu_32": "1509.5275", "nu_32_sigma": "0.0012", "B_1": "1.42186454", "B_2": "1.4061199", "B_3": "1.390425" }, "check": "Scratch (2026-09-27): Q(N) = nu + (B_v - B_(v-1)) N(N+1) reproduces Table V to within 0.003 cm-1: 1-0 with the text's nu_10 and dB_10, O - C = -0.0030, +0.0010, +0.0004, -0.0001, -0.0009, +0.0018 for N = 1, 3, 11, 23, 39, 55; 2-1 with dB = B_2 - B_1 = -0.01574464, -0.0017, +0.0009, +0.0002, +0.0001 for N = 1, 11, 25, 39; 3-2 with B_3 - B_2, +0.0031, +0.0009 for N = 1, 11. The low-N residuals are the unresolved spin structure the model ignores." } The B\_2 \- B\_1 and B\_3 \- B\_2 differences are not printed; Table VI gives B\_2 and B\_3 built from them and this paper's B\_1 \(note a\), so dB\_21 = B\_2 \- B\_1 and dB\_32 = B\_3 \- B\_2 follow from the coefficients above\. 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.