The molecular structure and a Renner-Teller analysis of the ground and first excited electronic states of the jet-cooled CS2+ molecular ion

被引:12
作者
He, SG [1 ]
Clouthier, DJ [1 ]
机构
[1] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA
基金
美国国家科学基金会;
关键词
D O I
10.1063/1.2172612
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The A (2)Pi(u)-X (2)Pi(g) electronic band system of the jet-cooled CS2+ ion has been studied by laser-induced fluorescence and wavelength-resolved emission techniques. The ions were produced in a pulsed electric discharge jet using a precursor mixture of carbon disulfide vapor in high-pressure argon. Rotational analysis of the high-resolution spectrum of the (2)Pi(3/2) component of the 0(0)(0) band gave linear-molecule molecular structures of r(0)(')=1.5554(10) A and r(0)(')=1.6172(12) A. Renner-Teller analyses of the vibronic structure in the spectra showed that the ground-state spin-orbit splitting (A=-447.0 cm(-1)) is much larger than that of the excited state (A=-177.5 cm(-1)), but that the Renner-Teller parameters are of similar magnitude and that a strong nu(1)-2 nu(2) Fermi resonance occurs in both states. Previous analyses of the vibronic structure in the ground and excited states of the ion from pulsed field-ionization-photoelectron data are shown to be substantially correct.
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页数:9
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