Fourier transform spectrum and term values for the CO-stretching mode of CD3OH methanol

Citation
M. Mollabashi et al., Fourier transform spectrum and term values for the CO-stretching mode of CD3OH methanol, INT J INFRA, 21(7), 2000, pp. 1061-1083
Citations number
29
Categorie Soggetti
Eletrical & Eletronics Engineeing
Journal title
INTERNATIONAL JOURNAL OF INFRARED AND MILLIMETER WAVES
ISSN journal
01959271 → ACNP
Volume
21
Issue
7
Year of publication
2000
Pages
1061 - 1083
Database
ISI
SICI code
0195-9271(200007)21:7<1061:FTSATV>2.0.ZU;2-W
Abstract
The Fourier transform infrared (FTIR) spectrum of the CO-stretching fundame ntal band of CD3OH has been recorded at a resolution of 0.002 cm(-1). Assig nments are reported for 35 subbands in the n = 0 ground torsional state, co vering K = 0 to 9 for all torsional symmetries plus K = 10 A, and 12 assort ed A and E subbands in the n = 1 first excited torsional state ranging from K = 0 up to K = 5. The subband wavenumbers have been fitted to J(J+1) powe r-series energy expansions to obtain subband origins and a compact represen tation of the spectral observations. With the use of known ground-state ene rgies, CO-stretch energy term values have been determined and tabulated. Le ast-squares fitting of the subband origins to a fourth-order Hamiltonian mo del for the CO-stretch mode is discussed.