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High-resolution Fourier transform emission spectroscopy of the A∼2Πi-X∼2Πi band of the OCS+ ion.
Nakashima, Yoshihiro; Harada, Kensuke; Tanaka, Keiichi; Tanaka, Takehiko.
Afiliação
  • Nakashima Y; Department of Chemistry, Faculty of Sciences, Kyushu University, Motooka, Nishiku, Fukuoka 819-0395, Japan.
  • Harada K; Department of Chemistry, Faculty of Sciences, Kyushu University, Motooka, Nishiku, Fukuoka 819-0395, Japan.
  • Tanaka K; Department of Chemistry, Faculty of Sciences, Kyushu University, Motooka, Nishiku, Fukuoka 819-0395, Japan.
  • Tanaka T; Department of Chemistry, Faculty of Sciences, Kyushu University, Motooka, Nishiku, Fukuoka 819-0395, Japan.
J Chem Phys ; 146(14): 144302, 2017 Apr 14.
Article em En | MEDLINE | ID: mdl-28411593
ABSTRACT
High resolution Fourier transform emission spectroscopy of the A∼2Πi-X∼2Πi band of the OCS+ ion was performed in the UV region to observe the ν1 (CO stretch) progression bands (υ1 = 0 → 2-5) for both the Ω=3/2 and 1/2 spin components. Accurate molecular constants including the rotational constants, B0 = 0.194 765(13) and 0.187 106(13) cm-1, and the spin-orbit interaction constants, A0 = -381.0(56) and -126.5(56) cm-1, were determined for the X∼2Π and A∼2Π states, respectively, by the simultaneous analysis of the observed progression bands. The CO bond length (rCO = 1.2810 Å) for the A∼2Π state, derived from the rotational constant B0 and Franck-Condon factors, is longer by 0.1756 Å than that (1.1054 Å) for the X∼2Π state, while the CS bond length for the A∼2Π state is shorter by 0.0905 Å than that for the X∼2Π state. Pure rotational transition frequencies in the ground X∼2Π state are predicted, as well as transition frequencies of the ν1 fundamental band, with the present molecular constants.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2017 Tipo de documento: Article País de afiliação: Japão

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2017 Tipo de documento: Article País de afiliação: Japão