SHAPE RESONANCES IN LOW-ENERGY ELECTRON TRANSMISSION AND SULFUR K-SHELL PHOTOABSORPTION SPECTROSCOPIES - CH3SH, C2H5SH, (CH3)2S, (C2H5)2S, C6H5SH, C6H5SCH3, CH3SCN, CH3NCS, SCL2

被引：49

作者：

DEZARNAUD, C

TRONC, M

MODELLI, A

机构：

[1] UNIV PARIS 11, CNRS,CEA,MEN, UTILISAT RAYONNEMENT ELECTROMAGNET LAB, F-91405 ORSAY, FRANCE

[2] UNIV BOLOGNA, DIPARTIMENTO CHIM G CIAMICIAN, I-40126 BOLOGNA, ITALY

来源：

CHEMICAL PHYSICS | 1991年 / 156卷 / 01期

关键词：

D O I：

10.1016/0301-0104(91)87045-W

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 ET spectra (0-7 eV) and (or) the sulfur K-shell photoabsorption spectra (XAS) (2.4-2.5 keV) have been obtained for the divalent sulfur molecules CH3SH, C2H5SH, (CH3)2S, (C2H5)2S, C6H5SH, C6H5SCH3, CH3SCN, CH3NCS and SCl2. These spectra are dominated by broad shape resonances with trapping of the impinging (ETS) or K excited (XAS) electron behind a centrifugal barrier. Both types of spectroscopies are demonstrated to be a probe of virtual antibonding valence molecular orbitals. Substitution effect on the properties of the sigma* (S-C) virtual MO is enlightened.

引用

页码：129 / 140

页数：12

共 55 条

[1] ULTRAVIOLET PHOTOELECTRON SPECTROSCOPIC INVESTIGATION OF ELECTRONIC-STRUCTURE OF SOME ORGANIC THIO-CYANATES AND ISOTHIO-CYANATES AND THEIR SELENIUM ANALOGS [J].