CNDO MOLECULAR-ORBITAL THEORY OF MOLECULAR SPECTRA .3. CALCULATIONS FOR FLUOROSULFATE RADICAL

被引：24

作者：

KING, GW

SANTRY, DP

WARREN, CH

机构：

[1] Department of Chemistry, McMaster University, Hamilton, Ont.

来源：

JOURNAL OF CHEMICAL PHYSICS | 1969年 / 50卷 / 10期

关键词：

D O I：

10.1063/1.1670932

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：

Calculations are presented for the four lowest doublet states of the fluorosulfate (SO3F) radical. The symmetries of these states were found to be, in order of increasing energy, 2A2, 2A1, 2E, and 2E. These results are consistent with the energies and intensities of the observed spectral absorption systems, especially the C̃2E←X̃2A 2 transition at 2.403 eV (5160 Å).

引用

页码：4565 / &

共 16 条

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