High-resolution Fourier transform emission spectroscopy of the A∼2Πi−X∼2Πi band of the OCS + ion

Yoshihiro Nakashima, Kensuke Harada, Keiichi Tanaka, Takehiko Tanaka

Research output: Contribution to journalArticle

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 (υ 1 = 0 → 2-5) for both the Ω=3/2 and 1/2 spin components. Accurate molecular constants including the rotational constants, B 0 = 0.194 765(13) and 0.187 106(13) cm −1 , and the spin-orbit interaction constants, A 0 = −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 (r CO = 1.2810 Å) for the A∼2Π state, derived from the rotational constant B 0 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.

Original languageEnglish
Article number144302
JournalJournal of Chemical Physics
Volume146
Issue number14
DOIs
Publication statusPublished - Apr 14 2017

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Emission spectroscopy
Carbon Monoxide
Fourier transforms
Bond length
Ions
high resolution
spectroscopy
ions
progressions
Electron transitions
Ground state
Orbits
spin-orbit interactions
ground state

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

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.

In: Journal of Chemical Physics, Vol. 146, No. 14, 144302, 14.04.2017.

Research output: Contribution to journalArticle

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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 (υ 1 = 0 → 2-5) for both the Ω=3/2 and 1/2 spin components. Accurate molecular constants including the rotational constants, B 0 = 0.194 765(13) and 0.187 106(13) cm −1 , and the spin-orbit interaction constants, A 0 = −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 (r CO = 1.2810 {\AA}) for the A∼2Π state, derived from the rotational constant B 0 and Franck-Condon factors, is longer by 0.1756 {\AA} than that (1.1054 {\AA}) for the X∼2Π state, while the CS bond length for the A∼2Π state is shorter by 0.0905 {\AA} 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.",
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