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Deformationally self‐consistent treatment of high‐resolution coherent Raman spectra of 14 N 2 and 15 N 2 in the X 1 Σ + G electronic ground state
Author(s) -
Molski Marcin
Publication year - 1999
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/(sici)1097-4555(199906)30:6<449::aid-jrs395>3.0.co;2-3
Subject(s) - raman spectroscopy , adiabatic process , spectral line , chemistry , ground state , atomic physics , born–oppenheimer approximation , function (biology) , nuclear magnetic resonance , physics , molecular physics , analytical chemistry (journal) , molecule , optics , quantum mechanics , chromatography , organic chemistry , evolutionary biology , biology
The coherent Raman spectra of electrically discharged 14 N 2 and 15 N 2 were analysed using the deformationally self‐consistent procedure for the treatment of spectral data. By making use of eight independent unconstrained parameters, 356 measured spectral lines were reproduced with σ = 0.0023 cm −1 , $\hat{\sigma} = 1.96$ and F = 8.74 × 10 13 . From a marginally evaluated value of the parameter t N 0 , related to non‐adiabatic rotational effects, we predicted a rough value of the rotational g ‐factor for 15 N 2 g 0 = −0.37(21), near the known experimental value g 0 = −0.2593(5). Fit with the constrained t N 0 yielded σ = 0.0023 cm −1 , $\hat{\sigma} = 1.96$ , F = 1.00× 10 14 , and the set of seven well evaluated parameters representing the Born–Oppenheimer potential energy function and non‐adiabatic vibrational effects. Copyright © 1999 John Wiley & Sons, Ltd.