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Raman and infrared rotation‐vibration spectra of the ν 1 Band of D 14 N 3
Author(s) -
Bendtsen Jørgen
Publication year - 1984
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/jrs.1250150209
Subject(s) - raman spectroscopy , wavenumber , infrared , analytical chemistry (journal) , infrared spectroscopy , chemistry , spectral line , resolution (logic) , calibration , nuclear magnetic resonance , physics , optics , organic chemistry , chromatography , quantum mechanics , astronomy , artificial intelligence , computer science
The rotational structure of the ν 1 band of D 14 N 3 in the wavenumber region 2200–2600 cm −1 has been measured by means of Raman spectroscopy with a resolution of 0.3 cm −1 . Both components of the hybrid band were observed. In addition, an infrared spectrum of the same wavenumber region was recorded with a resolution of 0.07 cm −1 . In the infrared experiment mainly the parallel component was observed. The molecular parameters determined from the observed wavenumbers in the Raman spectrum are (ν 0 ) 1 =2478.32 (1) cm −1 , A 1 = −11.096 (1) cm −1 ,½( B 1 + C 1 )=0.37187 (4) cm −1 , ( D K ) 1 = 2.85 (2) × 10 −3 cm −1 and ( H K ) 0 = 2.7 (4) × 10 −6 cm −1 . From the infrared spectrum the following values were obtained: (ν 0 ) 1 = 2478.451 (3) cm −1 , A 1 = 11.0902 (4) cm −1 , B 1 = 0.378186 (9) cm −1 , C 1 = 0.365032 (9) cm −1 , ( D K ) 1 = 2.69 (2) × 10 −3 cm −1 in addition to values for ( D 1 ) 1 and ( D JK ) 1 . The discrepancy between the values for (ν 0 ) 1 obtained from the two experiments is mainly due to uncertainties in the absolute calibration and to differences in the intensity distributions of the unresolved Q ‐branch lines in the two types of experiments.