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Crystal Structure and Optical Properties of the [Ag62S12(SBut)(32)](2+) Nanocluster with a Complete Face-Centered Cubic Kernel
Jin, Shan1,2; Wang, Shuxin1,2; Song, Yongbo1,2; Zhou, Meng3,4; Zhong, Juan; Zhang, Jun1,2,5; Xia, Andong3,4; Pei, Yong5; Chen, Man1,2; Li, Peng1,2; Zhu, Manzhou1,2
刊名JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
2014-11-05
DOI10.1021/ja506773d
136期:44页:15559-15565
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Multidisciplinary
研究领域[WOS]Chemistry
关键词[WOS]SILVER CLUSTERS ; GOLD NANOPARTICLE ; AU-25 CLUSTERS ; THIOLATE ; SOLVATION ; INTERPLAY ; MAGNETISM ; DYNAMICS ; METAL ; STATE
英文摘要The crystal structure of the [Ag62S12(SBut)32](2+) nanocluster (denoted as NC-I) has been successfully determined, and it shows a complete face-centered-cubic (FCC) Ag14 core structure with a Ag-48(SBut)32 shell configuration interconnected by 12 sulfide ions, which is similar to the [Ag62S13(SBut)32](4+) structure (denoted as NC-II for short) reported by Wang. Interestingly, NC-I exhibits prominent differences in the optical properties in comparison with the case of the NC-II nanocluster. We employed femtosecond transient absorption spectroscopy to further identify the differences between the two nanoclusters. The results show that the quenching of photoluminescence in NC-I in comparison to that of NC-II is caused by the free valence electrons, which dramatically change the ligand to metal charge transfer (LMCT, S 3p -> Ag 5s). To get further insight into these, we carried out time-dependent density functional theory (TDDFT) calculations on the electronic structure and optical absorption spectra of NC-I and NC-II. These findings offer a new insight into the structure and property evolution of silver cluster materials.
语种英语
WOS记录号WOS:000344516600025
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/145680
专题中国科学院大连化学物理研究所
作者单位1.Anhui Univ, Dept Chem, Hefei 230601, Anhui, Peoples R China
2.Anhui Univ, Ctr Atom Engn Adv Mat, Hefei 230601, Anhui, Peoples R China
3.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China
4.Chinese Acad Sci, Inst Chem, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
5.Xiangtan Univ, Minist Educ, Dept Chem, Key Lab Environm Friendly Chem & Applicat, Xiangtan 411105, Hunan, Peoples R China
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Jin, Shan,Wang, Shuxin,Song, Yongbo,et al. Crystal Structure and Optical Properties of the [Ag62S12(SBut)(32)](2+) Nanocluster with a Complete Face-Centered Cubic Kernel[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2014,136(44):15559-15565.
APA Jin, Shan.,Wang, Shuxin.,Song, Yongbo.,Zhou, Meng.,Zhong, Juan.,...&Zhu, Manzhou.(2014).Crystal Structure and Optical Properties of the [Ag62S12(SBut)(32)](2+) Nanocluster with a Complete Face-Centered Cubic Kernel.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,136(44),15559-15565.
MLA Jin, Shan,et al."Crystal Structure and Optical Properties of the [Ag62S12(SBut)(32)](2+) Nanocluster with a Complete Face-Centered Cubic Kernel".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 136.44(2014):15559-15565.
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