VIBRATIONALLY EXCITED-STATES IN C3V MOLECULES - CH AND CD STRETCHINGSIN CH3CD3

Citation
F. Tullini et al., VIBRATIONALLY EXCITED-STATES IN C3V MOLECULES - CH AND CD STRETCHINGSIN CH3CD3, Journal of molecular structure, 320, 1994, pp. 81-90
Citations number
10
Categorie Soggetti
Chemistry Physical
ISSN journal
00222860
Volume
320
Year of publication
1994
Pages
81 - 90
Database
ISI
SICI code
0022-2860(1994)320:<81:VEICM->2.0.ZU;2-O
Abstract
The infrared spectrum of gaseous CH3CD3 has been recorded in the range 3000-15 000 cm-1. Overtone and combination bands up to five quanta of excitation in CH and CD stretchings have been assigned. A total of 71 vibrational states for CH3, involving stretchings and bendings, has b een analysed on the basis of a normal mode model. The relations betwee n the normal and local mode parameters associated with CH stretchings were imposed and three Fermi resonance interactions were included. Twe lve parameters reproduce the experimental data related to CH3 with an r.m.s. error of 2.16. Less satisfactory results have been obtained by treating 36 vibrational states involving stretchings and bendings of t he CD3 group with the same model.