| Theoretical insights into the formation of thiolate-protected nanoparticles from gold(Ⅲ) chloride |
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| 引用本文： | 张学娜,汪蓉,薛奇.Theoretical insights into the formation of thiolate-protected nanoparticles from gold(Ⅲ) chloride[J].中国物理 B,2014(9):526-531. |
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| 作者姓名： | 张学娜 汪蓉 薛奇 |
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| 作者单位： | Department of Polymer Science and Engineering,School of Chemistry and Chemical Engineering,Nanjing University;Key Laboratory of High Performance Polymer Materials and Technology of Ministry of Education,Nanjing University;State Key Laboratory of Coordination Chemistry,School of Chemistry and Chemical Engineering,Nanjing University |
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| 基金项目： | supported by the National Basic Research Program of China(Grant Nos.2012CB821500 and 2010CB923303);the National Natural Science Foundation of China(Grant Nos.51133002 and 21074053);the Program for Changjiang Scholars and Innovative Research Team in University,China |
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| 摘 要： | Reaction pathways for the formation of thiolate-gold nanoparticles are investigated by density functional theory(DFT) and a new mechanism upon solvent polarity and tetraalkylammonium is obtained. In solvents with high polarities, Au(I)SR]n polymers can be formed as the precursor of metal ions prior to the addition of a reducing agent; while a product of Cl···AuCl(HSR)] is identified as the precursor in solvents with low polarities, such as toluene and chloroform.In addition, tetraalkylammonium also has an obvious effect on the reactions when it is used as a phase transfer agent in the two-phase synthesis. These findings offer a systematic analysis on the pathways to thiolate-stabilized nanoparticles and give a favorable explanation by comparison with those in an experimental system.
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| 关 键 词： | nanoparticle Brust–Schiffrin method mechanism precursor |
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