ADIABATIC IONIZATION-ENERGY OF CH3SSCH3

被引:49
作者
LI, WK
CHIU, SW
MA, ZX
LIAO, CL
NG, CY
机构
[1] UNIV ILLINOIS,CTR BIOTECHNOL,URBANA,IL 61801
[2] UNIV ILLINOIS,NATL CTR SUPERCOMP APPLICAT,CHAMPAIGN,IL 61820
[3] IOWA STATE UNIV SCI & TECHNOL,US DOE,AMES LAB,AMES,IA 50011
[4] IOWA STATE UNIV SCI & TECHNOL,DEPT CHEM,AMES,IA 50011
关键词
D O I
10.1063/1.465619
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 ionization energy (IE) for CH3SSCH3 has been measured by the pulsed molecular beam photoionization mass spectrometric method. The experimental IE of 8.18 +/- 0.03 eV is in excellent agreement with the theoretical prediction of 8.15 eV calculated using the ab initio Gaussian-2 procedure, indicating that the experimental ionization onset can be assigned as the adiabatic IE for CH3SSCH3. The observation of the adiabatic IE(CH3SSCH3) is attributed to the low potential energy barrier for rotation about the S-S bond, which allows CH3SSCH3 to exist dynamically in a wide range of CSSC dihedral angles.
引用
收藏
页码:8440 / 8444
页数:5
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