Strong interactions through the X•••Au-Y bridge:: the Au bond?

被引:40
作者
Avramopoulos, A
Papadopoulos, MG
Sadlej, AJ
机构
[1] Natl Hellen Res Fdn, Inst Organ & Pharmaceut Chem, EL-11635 Athens, Greece
[2] Nicholas Copernicus Univ, Dept Quantum Chem, PL-87100 Torun, Poland
关键词
D O I
10.1016/S0009-2614(03)00174-X
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 interaction between AuOH and the lone-pair donors (HF, H2O) is shown to result in well-bound complexes whose structure resembles that of the corresponding H-bonded systems with the gold atom replacing hydrogen. The dissociation energies are estimated to be 10.7 and 27.4 kcal/mol for HF...Au-OH and H2O...Au-OH, respectively. However, the interaction between AuOH and the lone pair donors is found to involve significant charge transfer. Furthermore, the Au-O stretching frequency increases upon the complex formation. It is concluded that, in spite of certain similarity to the H-bonded species, the Au-bonded complexes should be considered as Lewis acid-base pairs. (C) 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:765 / 769
页数:5
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