CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Ligand Effects of Thiolate-Protected Au-102 Nanoclusters
Gao, Yi
2013
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume117Issue:17Pages:CONCATENATE(Sheet1!I195,-Sheet1!J195)
AbstractThe Au-102(p-MBA)(44) (p-MBA = para-mercaptobenzoic acid) nanocluster is an ideal model to study the structures of gold nanoclusters, the motifs of the monolayer ligand groups, and the crystal formation of Au nanoparticles. Based on the partially exchanged Au-102(p-MBA)(40)(p-BBT)(4) (p-BBT = para-bromobenzene thiol) crystal structure (J. Am Chem. Soc. 2012, 134, 13316713322), we employed density functional theory to investigate the ligand effects for :different thiolate substitutions. It was found that the intermolecular pi-pi stacking plays an important role for the crystal's stability in addition to the increased intrinsic stability from the substituent monomer:: Furthermore, we suggested para-(dimethylatnino) benzenethiol (N-(CH3)(2)-C6H4-SH). and para-amino benzenethiol (NH2-C6H4-SH) would be more favorable than p-BBT for the stabilities of partially exchanged Au-102(p-MBA)(44) crystal structures due to their stronger intermolecular pi-pi stacking This study provides a theoretical template for surface chemical engineering.
Indexed BySCI
Language英语
Funding Project应物所项目组
WOS IDWOS:000318536600046
Citation statistics
Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/13807
Collection中科院上海应用物理研究所2011-2019年
Recommended Citation
GB/T 7714
Gao, Yi. Ligand Effects of Thiolate-Protected Au-102 Nanoclusters[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2013,117(17):CONCATENATE(Sheet1!I195,-Sheet1!J195).
APA Gao, Yi.(2013).Ligand Effects of Thiolate-Protected Au-102 Nanoclusters.JOURNAL OF PHYSICAL CHEMISTRY C,117(17),CONCATENATE(Sheet1!I195,-Sheet1!J195).
MLA Gao, Yi."Ligand Effects of Thiolate-Protected Au-102 Nanoclusters".JOURNAL OF PHYSICAL CHEMISTRY C 117.17(2013):CONCATENATE(Sheet1!I195,-Sheet1!J195).
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