Premium
Spectroscopic and thermodynamic studies of unsaturated nitrile compounds: 2—The infrared and Raman spectra, normal coordinate analysis and values for the ideal gas thermodynamic functions of 3‐methyl‐2‐butenenitrile
Author(s) -
Compton D. A. C.,
Murphy W. F.,
Mantsch H. H.
Publication year - 1981
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.1250110512
Subject(s) - raman spectroscopy , chemistry , infrared , nitrile , ideal gas , infrared spectroscopy , spectral line , ideal (ethics) , computational chemistry , analytical chemistry (journal) , thermodynamics , physics , organic chemistry , quantum mechanics , philosophy , epistemology
A study of the vibrational spectrum of 3‐methyl‐2‐butenenitrile has been carried out. The infrared spectra above 625 cm −1 of the gaseous, liquid and solid states, and the Raman spectra of the liquid and solid states are reported. An assignment has been made for the observed vibrational frequencies with the aid of a normal coordinate treatment. Estimates were made for the torsional barrier heights and frequencies of the two methyl groups, but only one of the torsional frequencies could be located. Values for the thermodynamic functions of the ideal gas were calculated using the observed spectroscopic data; contributions due to the torsional motions were calculated from the estimated barrier heights.