Transition metal-noble gas bonding: the next frontier

被引：51

作者：

Lovallo, CC ^{[1
]}

Klobukowski, M ^{[1
]}

机构：

[1] Univ Alberta, Dept Chem, Edmonton, AB T6G 2G2, Canada

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 368卷 / 5-6期

基金：

加拿大自然科学与工程研究理事会;

关键词：

D O I：

10.1016/S0009-2614(02)01913-9

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：

Recently developed well-tempered model core potentials were reparameterized and used to study the interactions between the coinage metal monohalides and a heavier rare gas atom RgMX (Rg = Ar, Kr, Xe; M = Cu, Ag, Au; X = F, Cl). Geometries and binding energies were calculated for these systems at the MP2 level of theory in order to aid in spectroscopic identification of these compounds. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：589 / 593

页数：5

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