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Artigo Produção Nacional Revisado por pares
BIBTEX RIS

The infrared absorption spectra and normal coordinate analysis of 13CH3OH, 13CD3OH, and 13CD3OD

1992; Elsevier BV; Volume: 156; Issue: 1 Linguagem: Inglês

10.1016/0022-2852(92)90090-b

ISSN

1096-083X

Autores

Flávio C. Cruz, A. Scalabrin, D. Pereira, Pedro A. M. Vazquez, Y. Hase, F. Strumia,

Tópico(s)

Atmospheric Ozone and Climate

Resumo

The infrared absorption spectra of the gas-phase 13C-methanol isotopomers, 13CH3OH, 13CD3OH, and 13CD3OD, were measured in the wavenumber region between 400 and 4000 cm−1, at instrumental resolutions of 4 and 0.12 cm−1. The fundamental vibrational wavenumbers were assigned from the spectra with the aid of a normal coordinate analysis using the valence force constants recently determined for the gas-phase 12C isotopomers. Using the fundamental wavenumbers of both 12C and 13C-methanol isotopomers, we obtained a new set of force constants for the methanol molecule by a simultaneous least-squares adjustment to a total of 67 observed wavenumbers.

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