Complexes of DNA bases and gold clusters Au3 and Au4 involving nonconventional N-H•••Au hydrogen bonding

被引：124
作者：
Kryachko, ES
Remacle, F
机构：
[1] Univ Liege, Dept Chem, B-4000 Liege, Belgium
[2] Bogoliubov Inst Theoret Phys, UA-03143 Kiev, Ukraine
来源：
NANO LETTERS | 2005年 / 5卷 / 04期
关键词：
D O I：
10.1021/nl050194m
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
DNA base-gold interactions are studied theoretically at the DFT level using Au-3 and Au-4 clusters as simple catalytic models for Au particles. The bonding between DNA bases and gold clusters occurs via the anchoring of a Au atom to the N or 0 atoms of the bases. In the most stable planar base-Au-3 complexes, the Au-N or Au-O anchor bonds are reinforced by N-H center dot center dot center dot Au bonds. The mechanism of formation of these nonconventional H-bonds is discussed.
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页码：735 / 739
页数：5
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