Extremely strong s2-s2 closed-shell interactions

被引：0

作者：

Wesendrup, R ^{[1
]}

Schwerdtfeger, P ^{[1
]}

机构：

[1] Univ Auckland, Dept Chem, Auckland, New Zealand

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2000年 / 39卷 / 05期

关键词：

ab initio calculations; electronic structures; relativistic effects;

D O I：

10.1002/(SICI)1521-3773(20000303)39:5<907::AID-ANIE907>3.0.CO;2-M

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Closed-shell interactions are generally assumed to be weak but relativistic coupled-cluster calculations (see figure) reveal that the s2- s2 system Au- + Ba has an unusually high dissociation energy of 143 kJ mol-1. The main bond contribution is a charge-induced dipole interaction that profits from a relativistically contracted bond length and the high dipole polarizability for barium.

引用

页码：907 / +

页数：5

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