Ligand Exchange Mechanism on Thiolate Monolayer Protected Au25(SR)18 Nanoclusters

被引：65
|
作者：
Fernando, Amendra [1 ]
Aikens, Christine M. [1 ]
机构：
[1] Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA
来源：
JOURNAL OF PHYSICAL CHEMISTRY C | 2015年 / 119卷 / 34期
基金：
美国国家科学基金会;
关键词：
GOLD NANOPARTICLES; AU-25; CLUSTER; OPTICAL-PROPERTIES; CRYSTAL-STRUCTURE; CHARGE; METAL; SUBNANOMETER; PARTICLES; CHEMISTRY; DYNAMICS;
D O I：
10.1021/acs.jpcc.5b06833
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：
Ligand exchange reactions are important to functionalize and modify the optical and electronic properties of thiolate-protected gold nanoparticles. A theoretical investigation of the kinetics of the ligand exchange process was performed for the Au-25(SH)(18)(-) nanoduster with CH3SH as the incoming thiol ligand. Three possible ligand exchange sites were investigated: between the core gold atom and the terminal -SH unit, between the staple gold atom and the terminal -SH unit, and between a staple gold atom and the central -SH unit. We found that the most favorable ligand exchange takes place between terminal -SH units and staple gold atoms.
引用
收藏
页码：20179 / 20187
页数：9
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