南方科技大学知识苑(SUSTech KC): Re (c) B-8(-) and Re (c) B-9(-): New Members of the Transition-Metal-Centered Borometallic Molecular Wheel Family

题名	Re (c) B-8(-) and Re (c) B-9(-): New Members of the Transition-Metal-Centered Borometallic Molecular Wheel Family
作者	Chen, Teng-Teng 1; Li, Wan-Lu 2,3; Bai, Hui 1; Chen, Wei-Jia 1; Dong, Xin-Ran 4 ; Li, Jun2,3,4 ; Wang, Lai-Sheng 1
通讯作者	Li, Jun; Wang, Lai-Sheng
发表日期	2019-06-27
DOI	10.1021/acs.jpca.9b03942
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY A 影响因子和分区
ISSN	1089-5639
卷号	123 期号:25页码:5317-5324
摘要	Transition-metal-centered monocyclic boron wheel clusters (M (c) B-n(q)) represent a family of interesting borometallic compounds with double aromaticity. A variety of early and late transition metal atoms have been found to form such structures with high symmetries and various B-n ring sizes. Here we report a combined photoelectron spectroscopy and quantum-chemistry theoretical study of two MOB clusters from the middle of the transition metal series: Re (c) B-8(-) and Re (c) B-9(-). Global minimum structure searches revealed that ReB8- adopts a pseudo-C-8v, structure while ReB9- is a perfectly planar D-9h molecular wheel. Chemical bonding analyses showed that both clusters exhibit sigma and pi double aromaticity and obey the electronic design principle for metal-centered borometallic molecular wheels. The central Re atoms are found to possess unusually low oxidation states of +I in Re (c) B-8(-) and +II in Re (c) B-9(-), i.e., the Re atom behaves similarly to late transition metal elements (Ru, Fe, Co, Rh, Ir) in the M (c) B-n(-) molecular wheels. These two clusters become new members of the family of transition-metal-centered monocyclic borometallic molecular wheels, which may be viable for chemical syntheses with appropriate ligands.
相关链接	[来源记录]
收录类别	SCI ; EI
语种	英语
学校署名	通讯
资助项目	National Natural Science Foundation of China[21590792] ; National Natural Science Foundation of China[91426302] ; National Natural Science Foundation of China[21433005]
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000473251700015
出版者	AMER CHEMICAL SOC
EI入藏号	20192807153243
EI主题词	Wheels
EI分类号	Metallurgy and Metallography:531 ; Machine Components:601.2
ESI学科分类	CHEMISTRY
来源库	Web of Science
引用统计	被引频次[WOS]：44
成果类型	期刊论文
条目标识符	http://sustech.caswiz.com/handle/2SGJ60CL/25648
专题	理学院_化学系
作者单位	1.Brown Univ, Dept Chem, Providence, RI 02912 USA 2.Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China 3.Tsinghua Univ, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China 4.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China
通讯作者单位	化学系
推荐引用方式 GB/T 7714	Chen, Teng-Teng,Li, Wan-Lu,Bai, Hui,et al. Re (c) B-8(-) and Re (c) B-9(-): New Members of the Transition-Metal-Centered Borometallic Molecular Wheel Family[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2019,123(25):5317-5324.
APA	Chen, Teng-Teng.,Li, Wan-Lu.,Bai, Hui.,Chen, Wei-Jia.,Dong, Xin-Ran.,...&Wang, Lai-Sheng.(2019).Re (c) B-8(-) and Re (c) B-9(-): New Members of the Transition-Metal-Centered Borometallic Molecular Wheel Family.JOURNAL OF PHYSICAL CHEMISTRY A,123(25),5317-5324.
MLA	Chen, Teng-Teng,et al."Re (c) B-8(-) and Re (c) B-9(-): New Members of the Transition-Metal-Centered Borometallic Molecular Wheel Family".JOURNAL OF PHYSICAL CHEMISTRY A 123.25(2019):5317-5324.