Premium
The individual CH bond as a Raman spectroscopic probe to the internal rotation of the CHCl 2 Group in C 6 H 5 CHCl 2
Author(s) -
RibeiroClaro P. J. A.,
TeixeiraDias J. J. C.
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.1250150404
Subject(s) - raman spectroscopy , chemistry , molecule , group (periodic table) , hydrogen bond , internal rotation , crystallography , rotation (mathematics) , computational chemistry , stereochemistry , analytical chemistry (journal) , organic chemistry , geometry , physics , mechanical engineering , optics , engineering , mathematics
Evidence is provided concerning the internal rotation of the CHCl 2 group in the C 6 H 5 CHCl 2 molecule in the condensed phase using mainly the Raman spectra of the alkylic carbon‐hydrogen stretching vibration of C 6 H 5 CHCl 2 and its deuteriated analogues. Comparison of the Raman bands observed in the region of the CH stretching vibrations for the hydrogenated compound with its deuteriated derivatives allows the assingnment of two Raman bands to the CH vibrator of the CHCl 2 group. The dependence of the profiles of these bands on temperature and dilution in a series of solvents suggests a conformational equilibrium. Comparision of two different theoretical treatments of the isolated molecule enables us to reconize the importance of non‐boarded interactions operating during the internal rotation of the dichloromethyl group. The experimental results, used together woth the theoretical studies, lead to the evidence for two probable rotational isomers, designated CH ⊥ and CH ‖ which are responsible for the two observed Raman bands.