A PHOTOELECTRON AND AB-INITIO STUDY OF THE CH3SCH2 RADICAL

被引：23

作者：

BAKER, J ^{[1
]}

DYKE, JM ^{[1
]}

机构：

[1] UNIV SOUTHAMPTON,DEPT CHEM,SOUTHAMPTON S09 5NH,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 213卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(93)85129-C

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：

A new partially structured photoelectron band appearing early in the F + CH3SCH 3 reaction has been assigned to the primary reaction product, CH3SCH2. This band, with adiabatic and vertical ionisation energies of 6.85+/-0.03 and 7.16+/-0.03 eV, respectively, shows structure in two vibrational modes, with omega1 = 870 +/- 70 cm-1 and omega2 = 390 +/- 100 cm-1, which can be assigned to the S-CH2 stretch and the C-S-C deformation modes of the ion. These assignments are consistent with the results of ab-initio calculations conducted at the SCF and MP2 levels.

引用

页码：257 / 261

页数：5

共 15 条

[11] PHOTOELECTRON SPECTRUM OF AN UNSTABLE SPECIES IN PYROLYSIS PRODUCTS OF DIMETHYLDISULFIDE [J].