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High‐resolution stimulated Raman spectroscopy and analysis of the ν 1 /ν 5 (C–H) stretching dyad of C 2 H 4
Author(s) -
Aouididi H.,
Rotger M.,
Bermejo D.,
Martínez R.Z.,
Boudon V.
Publication year - 2013
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.4224
Subject(s) - raman spectroscopy , formalism (music) , resolution (logic) , chemistry , root mean square , molecule , spectral line , molecular physics , coupling constant , analytical chemistry (journal) , spectroscopy , physics , crystallography , nuclear magnetic resonance , optics , quantum mechanics , art , musical , chromatography , artificial intelligence , computer science , visual arts
The high‐resolution stimulated Raman spectra of the ν 1 / ν 5 C–H stretching bands of C 2 H 4 have been recorded and analyzed by means of the tensorial formalism developed in Dijon for X 2 Y 4 asymmetric‐top molecules. A total of 689 lines (428 for ν 5 and 261 for ν 1 ) were assigned and fitted as a dyad including Coriolis coupling constants. We obtained a global root mean square deviation of 4.39 × 10 − 3 cm − 1 (4.61 × 10 − 3 cm − 1 for ν 1 , 4.25 × 10 − 3 cm − 1 for ν 5 ). The nearby 2 ν 2 band, extrapolated from ν 2 , was included in the analysis. However, no interaction parameter involving it could be fitted. The analysis is quite satisfactory, although some parts of ν 5 are not very well reproduced, probably indicating some yet unidentified resonances. This region is indeed quite dense, with many interacting dark states that cannot be included at present. Copyright © 2012 John Wiley & Sons, Ltd.