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

[1] DAS GLEICHGEWICHT F2S2O6 EQUALS 2FSO3 DAS ABSORPTIONSSPEKTRUM DES RADIKALS FSO3 UND DIE KINETIK DER THERMISCHEN REAKTION ZWISCHEN BIS-SULFURYLFLUORIDPEROXID UND SCHWEFELTETRAFLUORID
CASTELLANO, E
SICRE, JE
GATTI, R
SCHUMACHER, HJ
[J]. ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1964, 42 (3-4): : 174 - &
[2] DELBENE J, 1968, J CHEM PHYS, V48, P1807
[3] THE ELECTRONIC SPECTRA OF AROMATIC MOLECULES .1. BENZENOID HYDROCARBONS
DEWAR, MJS
LONGUETHIGGINS, HC
[J]. PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1954, 67 (417): : 795 - 804
[4] EQUILIBRIUM BETWEEN PEROXYDISULFURYL DIFLUORIDE AND FLUOROSULFATE FREE RADICALS
DUDLEY, FB
CADY, GH
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (21) : 3375 - &
[5] HENCHER JL, PRIVATE COMMUNICATIO
[6] KING GW, TO BE PUBLISHED
[7] SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY OF MOLECULAR SPECTRA .2. APPROXIMATE OPEN-SHELL THEORY
KROTO, HW
SANTRY, DP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) : 2736 - &
[8] CNDO MOLECULAR-ORBITAL THEORY OF MOLECULAR SPECTRA .I. VIRTUAL-ORBITAL APPROXIMATION TO EXCITED STATES
KROTO, HW
SANTRY, DP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) : 792 - &
[9] NEUMAYER F, 1965, J INORG CHEM, V4, P1234
[10] CRYSTAL STRUCTURE OF POTASSIUM FLUOROSULPHATE
OSULLIVA.K
THOMPSON, RC
TROTTER, J
[J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1967, (12): : 2024 - +

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