Chiral Ag-23 nanocluster with open shell electronic structure and helical face-centered cubic framework

doi:10.1038/s41467-018-03136-9

	Chiral Ag-23 nanocluster with open shell electronic structure and helical face-centered cubic framework
	Liu, Chao 1; Li, Tao2 ; Abroshan, Hadi 3; Li, Zhimin 1; Zhang, Chen 4; Kim, Hyung J.3,5; Li, Gao 1; Jin, Rongchao 3
	2018-02-21
发表期刊	NATURE COMMUNICATIONS
ISSN	2041-1723
卷号	9
发表状态	已发表
DOI	10.1038/s41467-018-03136-9
摘要	We report the synthesis and crystal structure of a nanocluster composed of 23 silver atoms capped by 8 phosphine and 18 phenylethanethiolate ligands. X-ray crystallographic analysis reveals that the kernel of the Ag nanocluster adopts a helical face-centered cubic structure with C-2 symmetry. The thiolate ligands show two binding patterns with the surface Ag atoms: tri- and tetra-podal types. The tetra-coordination mode of thiolate has not been found in previous Ag nanoclusters. No counter ion (e.g., Na+ and NO3-) is found in the single-crystal and the absence of such ions is also confirmed by X-ray photoelectron spectroscopy analysis, indicating electrical neutrality of the nanocluster. Interestingly, the nanocluster has an open shell electronic structure (i.e., 23(Ag 5s(1))-18(SR) = 5e), as confirmed by electron paramagnetic resonance spectroscopy. Time-dependent density functional theory calculations are performed to correlate the structure and optical absorption/emission spectra of the Ag nanocluster.
收录类别	SCI ; SCIE
语种	英语
资助项目	Air Force Office of Scientific Research under AFOSR[FA9550-15-1-9999 (FA9550-15-1-0154)]
WOS研究方向	Science & Technology - Other Topics
WOS类目	Multidisciplinary Sciences
WOS记录号	WOS:000425594200004
出版者	NATURE PUBLISHING GROUP
WOS关键词	SILVER NANOPARTICLES ; OPTICAL-PROPERTIES ; CIRCULAR-DICHROISM ; CRYSTAL-STRUCTURES ; GOLD CLUSTERS ; THIOLATE ; EXCHANGE ; DENSITY ; METAL ; POTENTIALS
原始文献类型	Article
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/18273
专题	物质科学与技术学院_PI研究组_李涛组
通讯作者	Li, Gao; Jin, Rongchao
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China 2.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 3.Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA 4.Univ Missouri, Dept Chem, Columbia, MO 65211 USA 5.Korea Inst Adv Study, Sch Computat Sci, Seoul 02455, South Korea
推荐引用方式 GB/T 7714	Liu, Chao,Li, Tao,Abroshan, Hadi,et al. Chiral Ag-23 nanocluster with open shell electronic structure and helical face-centered cubic framework[J]. NATURE COMMUNICATIONS,2018,9.
APA	Liu, Chao.,Li, Tao.,Abroshan, Hadi.,Li, Zhimin.,Zhang, Chen.,...&Jin, Rongchao.(2018).Chiral Ag-23 nanocluster with open shell electronic structure and helical face-centered cubic framework.NATURE COMMUNICATIONS,9.
MLA	Liu, Chao,et al."Chiral Ag-23 nanocluster with open shell electronic structure and helical face-centered cubic framework".NATURE COMMUNICATIONS 9(2018).