Theoretical insights into the formation of thiolate-protected nanoparticles from gold (III) chloride

doi:10.1088/1674-1056/23/9/098201

›› 2014, Vol. 23 ›› Issue (9): 98201-098201.doi: 10.1088/1674-1056/23/9/098201

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇下一篇

Theoretical insights into the formation of thiolate-protected nanoparticles from gold (III) chloride

张学娜^{a b c}, 汪蓉^{a b c}, 薛奇^{a b c}

a Department of Polymer Science and Engineering, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China;
b Key Laboratory of High Performance Polymer Materials and Technology of Ministry of Education, Nanjing University, Nanjing 210093, China;
c State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China

收稿日期:2013-11-11 修回日期:2014-01-24 出版日期:2014-09-15 发布日期:2014-09-15
基金资助:
Project 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), and the Program for Changjiang Scholars and Innovative Research Team in University, China.

Theoretical insights into the formation of thiolate-protected nanoparticles from gold (III) chloride

Zhang Xue-Na (张学娜)^{a b c}, Wang Rong (汪蓉)^{a b c}, Xue Gi (薛奇)^{a b c}

a Department of Polymer Science and Engineering, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China;
b Key Laboratory of High Performance Polymer Materials and Technology of Ministry of Education, Nanjing University, Nanjing 210093, China;
c State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China

Received:2013-11-11 Revised:2014-01-24 Online:2014-09-15 Published:2014-09-15
Contact: Wang Rong, Xue Gi E-mail:wangrong@nju.edu.cn;xuegi@nju.deu.cn
Supported by:
Project 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), and the Program for Changjiang Scholars and Innovative Research Team in University, China.

摘要/Abstract

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.

关键词: nanoparticle, Brust-Schiffrin method, mechanism, precursor

Abstract: 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.

Key words: nanoparticle, Brust-Schiffrin method, mechanism, precursor

中图分类号: (Specific chemical reactions; reaction mechanisms)

82.30.-b

82.20.Wt (Computational modeling; simulation) 82.20.Yn (Solvent effects on reactivity)

张学娜, 汪蓉, 薛奇. Theoretical insights into the formation of thiolate-protected nanoparticles from gold (III) chloride[J]. , 2014, 23(9): 98201-098201.

Zhang Xue-Na (张学娜), Wang Rong (汪蓉), Xue Gi (薛奇). Theoretical insights into the formation of thiolate-protected nanoparticles from gold (III) chloride[J]. Chin. Phys. B, 2014, 23(9): 98201-098201.

参考文献 39

[1]	Murray R W 2008 Chem. Rev. 108 2688
[2]	Yu B H, Zhang D L, Li Y B and Tang Q B 2013 Chin. Phys. B 22 14212
[3]	Brust M, Walker M, Bethell D, Schiffrin D J and Whyman R 1994 J. Chem. Soc. Chem. Commun. 1994 801
[4]	Zhao P X, Li N and Astruc D 2013 Coordin. Chem. Rev. 257 638
[5]	Zhu M Z, Lanni E, Garg N, Bier M E and Jin R C 2008 J. Am. Chem. Soc. 130 1138
[6]	Frenkel A I, Nemzer S, Pister I, Soussan L, Harris T, Sun Y and Rafailovich M H 2005 J. Chem. Phys. 123 184701
[7]	Alvarez M M, Khoury J T, Schaaff T G, Shafigullin M, Vezmar I and Whetten R L 1997 Chem. Phys. Lett. 266 91
[8]	Goulet P J and Lennox R B 2010 J. Am. Chem. Soc. 132 9582
[9]	Sardar R, Funston A M, Mulvaney P and Murray R W 2009 Langmuir 25 13840
[10]	Jin R C 2010 Nanoscale 2 343
[11]	Li Y, Zaluzhna O, Xu B, Gao Y, Modest J M and Tong Y J 2011 J. Am. Chem. Soc. 133 2092
[12]	Zhu L L, Zhang C, Guo C C, Wang X L, Sun P C, Zhou D S, Chen W and Xue G 2013 J. Phys. Chem. C 117 11399
[13]	Brust M, Fink J, Bethell D, Schiffrin D J and Kiely C 1995 J. Chem. Soc. Chem. Commun. 1995 1655
[14]	Yee C K, Jordan R, Ulman A, White H, King A, Rafailovich M and Sokolov J 1999 Langmuir 15 3486
[15]	Zheng M, Li Z G and Huang X Y 2004 Langmuir 20 4226
[16]	Qian H F, Zhu Y and Jin R C 2009 ACS Nano 3 3795
[17]	Gentilini C, Evangelista F, Rudolf P, Franchi P, Lucarini M and Pasquato L 2008 J. Am. Chem. Soc. 130 15678
[18]	Leontowich A, Calver C F, Dasog M and Scott R 2010 Langmuir 26 1285
[19]	Zubarev E R, Xu J, Sayyad A and Gibson J D 2006 J. Am. Chem. Soc. 128 4958
[20]	Bachman R E, Bodolosky-Bettis S A, Pyle C J and Gray M A 2008 J. Am. Chem. Soc. 130 14303
[21]	Barngrover B M and Aikens C M 2012 J. Am. Chem. Soc. 134 12590
[22]	Delley B 1990 J. Chem. Phys. 92 508
[23]	Delley B 2000 J. Chem. Phys. 113 7756
[24]	Chen H, Lei X L, Liu L R, Liu Z F and Zhu H J 2010 Chin. Phys. B 19 123601
[25]	Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[26]	Klamt A and Schuurmann G 1993 J. Chem. Soc., Perkin Trans. 2 799
[27]	Delley B 2006 Mol. Simul. 32 117
[28]	Gao W, Zhao M and Jiang Q 2007 J. Phys. Chem. C 111 4042
[29]	Qian Z, Li S, Pathak B, Araujo C M, Ahuja R and Jena P 2012 Nanotechnology 23 485406
[30]	Ao Z M, Hernandez-Nieves A D, Peeters F M and Li S 2012 Phys. Chem. Chem. Phys. 14 1463
[31]	Yangyuoru P M, Webb J W and Shaw C F 2008 J. Inorg. Biochem. 102 584
[32]	Bau R 1998 J. Am. Chem. Soc. 120 9380
[33]	Wiseman M R, Marsh P A, Bishop P T, Brisdon B J and Mahon M F 2000 J. Am. Chem. Soc. 122 12598
[34]	Gies A P, Hercules D M, Gerdon A E and Cliffel D E 2007 J. Am. Chem. Soc. 129 1095
[35]	Simpson C A, Farrow C L, Tian P, Billinge S, Huffman B J, Harkness K M and Cliffel D E 2010 Inorg. Chem. 49 10858
[36]	Schaaff T G, Shafigullin M N, Khoury J T, Vezmar I, Whetten R L, Cullen W G, First P N, Gutierrezwing C, Ascensio J and Joseyacaman M J 1997 J. Phys. Chem. B 101 7885
[37]	Corthey G, Giovanetti L J, Ramallo-Lopez J M, Zelaya E, Rubert A A, Benitez G A, Requejo F G, Fonticelli M H and Salvarezza R C 2010 ACS Nano 4 3413
[38]	Li Y, Zaluzhna O and Tong Y 2011 Langmuir 27 7366
[39]	Reilly S A, Krick T and Dass A 2010 J. Phys. Chem. C 114 741

Theoretical insights into the formation of thiolate-protected nanoparticles from gold (III) chloride

Theoretical insights into the formation of thiolate-protected nanoparticles from gold (III) chloride

PDF (PC)

赞

可视化

摘要/Abstract

引用本文

使用本文

参考文献 39

相关文章 15

Metrics

本文评价

推荐阅读 0

[1]	Li-Xin Gao(高礼鑫), Xiao-Ke Zhang(张晓珂), An-Lei Zhang(张安蕾), Qi-Ling Xiao(肖祁陵), Fei Chen(陈飞), and Jun-Yi Ge(葛军饴). Flux pinning evolution in multilayer Pb/Ge/Pb/Ge/Pb superconducting systems[J]. 中国物理B, 2023, 32(3): 37402-037402.
[2]	Chen-Lu Jiao(焦晨璐), Guang-Wei Shao(邵光伟), Yu-Yue Chen(陈宇岳), and Xiang-Yang Liu(刘向阳). Reconstruction and functionalization of aerogels by controlling mesoscopic nucleation to greatly enhance macroscopic performance[J]. 中国物理B, 2023, 32(3): 38103-038103.
[3]	Jiangnan Ma(马江南), Feng Lv(冯侣), Guofu Wang(王国富), Zhifang Lin(林志方), Hongxia Zheng(郑红霞), and Huajin Chen(陈华金). Optical pulling force on nanoparticle clusters with gain due to Fano-like resonance[J]. 中国物理B, 2023, 32(1): 14205-014205.
[4]	Xinwen Ma(马新文), Shaofeng Zhang(张少锋), Weiqiang Wen(汶伟强), Zhongkui Huang(黄忠魁), Zhimin Hu(胡智民), Dalong Guo(郭大龙), Junwen Gao(高俊文), Bennaceur Najjari, Shenyue Xu(许慎跃), Shuncheng Yan(闫顺成), Ke Yao(姚科), Ruitian Zhang(张瑞田), Yong Gao(高永), and Xiaolong Zhu(朱小龙). Atomic structure and collision dynamics with highly charged ions[J]. 中国物理B, 2022, 31(9): 93401-093401.
[5]	Runxiao Zhang(张润潇), Zi Liu(刘姿), Xin Hu(胡昕), Kun Xie(谢鹍), Xinyue Li(李新月), Yumin Xia(夏玉敏), and Shengyong Qin(秦胜勇). Two-dimensional Sb cluster superlattice on Si substrate fabricated by a two-step method[J]. 中国物理B, 2022, 31(8): 86801-086801.
[6]	Qing-Xue Li(李庆雪), Dan Zhang(张丹), Yuan-Fei Jiang(姜远飞), Su-Yu Li(李苏宇), An-Min Chen(陈安民), and Ming-Xing Jin(金明星). Combination of spark discharge and nanoparticle-enhanced laser-induced plasma spectroscopy[J]. 中国物理B, 2022, 31(8): 85201-085201.
[7]	Jing-Yu Zhao(赵靖宇) and Zheng-Yu Weng(翁征宇). Mottness, phase string, and high-T_c superconductivity[J]. 中国物理B, 2022, 31(8): 87104-087104.
[8]	Le Zhou(周乐), Hongwen Zhang(张洪文), Qian Zhao(赵倩), and Weiping Cai(蔡伟平). Onion-structured transition metal dichalcogenide nanoparticles by laser fabrication in liquids and atmospheres[J]. 中国物理B, 2022, 31(7): 76106-076106.
[9]	Qi Qin(秦琦), Miaocheng Zhang(张缪城), Suhao Yao(姚苏昊), Xingyu Chen(陈星宇), Aoze Han(韩翱泽),Ziyang Chen(陈子洋), Chenxi Ma(马晨曦), Min Wang(王敏), Xintong Chen(陈昕彤), Yu Wang(王宇),Qiangqiang Zhang(张强强), Xiaoyan Liu(刘晓燕), Ertao Hu(胡二涛), Lei Wang(王磊), and Yi Tong(童祎). Fabrication and investigation of ferroelectric memristors with various synaptic plasticities[J]. 中国物理B, 2022, 31(7): 78502-078502.
[10]	Xiao-Lei Zhang(张晓蕾), Jie Zhang(张洁), Yuan Luo(罗元), and Jia Ran(冉佳). SERS activity of carbon nanotubes modified by silver nanoparticles with different particle sizes[J]. 中国物理B, 2022, 31(7): 77401-077401.
[11]	Guo-Shuai Fu(付国帅), Hong-Zhi Gao(高宏志), Guo-Wei Yang(杨国伟), Peng Yu(于鹏), and Pu Liu(刘璞). Laser fragmentation in liquid synthesis of novel palladium-sulfur compound nanoparticles as efficient electrocatalysts for hydrogen evolution reaction[J]. 中国物理B, 2022, 31(7): 77901-077901.
[12]	Hua-Wei Deng(邓华威) and Di-Hu Chen(陈弟虎). Up/down-conversion luminescence of monoclinic Gd₂O₃:Er³⁺ nanoparticles prepared by laser ablation in liquid[J]. 中国物理B, 2022, 31(7): 78701-078701.
[13]	Peng-Lin Gao(高朋林), Jian Gong(龚建), Qiang Tian(田强), Gung-Ai Sun(孙光爱), Hai-Yang Yan(闫海洋),Liang Chen(陈良), Liang-Fei Bai(白亮飞), Zhi-Meng Guo(郭志猛), and Xin Ju(巨新). Small-angle neutron scattering study on the stability of oxide nanoparticles in long-term thermally aged 9Cr-oxide dispersion strengthened steel[J]. 中国物理B, 2022, 31(5): 56102-056102.
[14]	Hui-Fang Wang(王慧芳), Chun-Rong Li(李春蓉), Min-Na Sun(孙敏娜), Jun-Xing Pan(潘俊星), and Jin-Jun Zhang(张进军). Transmembrane transport of multicomponent liposome-nanoparticles into giant vesicles[J]. 中国物理B, 2022, 31(4): 48703-048703.
[15]	Xiang Ling(凌翔), Bo Hua(华博), Ning Guo(郭宁), Kong-Jin Zhu(朱孔金), Jia-Jia Chen(陈佳佳), Chao-Yun Wu(吴超云), and Qing-Yi Hao(郝庆一). Synchronization in multilayer networks through different coupling mechanisms[J]. 中国物理B, 2022, 31(4): 48901-048901.