D. Cavagnat et al., HIGHLY VIBRATIONALLY EXCITED NON RIGID MOLECULES - OVERTONE SPECTROSCOPY AND INTRAMOLECULAR DYNAMICS OF GASEOUS NITROMETHANE, Berichte der Bunsengesellschaft fur Physikalische Chemie, 99(3), 1995, pp. 544-547
Citations number
20
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
The CH stretching overtone spectra of gaseous nitromethane NO2CH3 (Del
ta nu = 4 to 6) and of its monohydrogenated derivative NO2CHD2 (Delta
nu = 2 to 6) have been recorded and analysed with a theoretical treatm
ent which takes into account the coupling of the CH stretch with the l
ow hindered internal rotation of the methyl group and with isoenergeti
c combination states by Fermi resonance. The calculated spectra reprod
uce well the experimental ones.