ELECTRONIC-STRUCTURE OF PTCL2(NH3)2 (CIS AND TRANS-ISOMERS) - SCF-X-ALPHA STUDY

被引：11

作者：

BARBER, M

CLARK, JD

HINCHLIFFE, A

机构：

[1] Chemistry Department, UMIST, Manchester

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1979年 / 57卷 / DEC期

关键词：

D O I：

10.1016/0022-2860(79)80242-2

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：

SCFXα calculations are reported for the cis- and trans- isomers of PtCl2(NH3)2. The applicability of non-relativistic methods of calculation to platinum compounds is discussed. Ionization energies calculated by the transition-state method are compared with experimental ESCA values and differences in the electronic structure of the two isomers are discussed. © 1979.

引用

页码：169 / 173

页数：5

共 8 条

[1] ELECTRONIC-STRUCTURE OF UF(-/6) [J].