南方科技大学知识苑(SUSTech KC): A Room-Temperature Stable Distonic Radical Cation

题名	A Room-Temperature Stable Distonic Radical Cation
作者	Chen，Xiaodan 1; Liu，Liu Leo2 ; Liu，Shihua 3,4; Grützmacher，Hansjörg 3,4,5; Li，Zhongshu 3,4
通讯作者	Li，Zhongshu
发表日期	2020
DOI	10.1002/anie.202011677
发表期刊	ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 影响因子和分区
ISSN	1433-7851
EISSN	1521-3773
卷号	59 期号:52页码:23830-23835
摘要	Distonic radical cations (DRCs) with spatially separated charge and radical sites have, so far, largely been observed by gas-phase mass spectrometry and/or matrix isolation spectroscopy work. Herein, we disclose the isolation of a crystalline dicarbondiphosphide-based β-distonic radical cation salt 3(BARF) (BARF=[B(3,5-(CF)CH))]) stable at room temperature and formed by a one-electron-oxidation-induced intramolecular skeletal rearrangement reaction. Such a species has been validated by electron paramagnetic resonance (EPR) spectroscopy, single-crystal X-ray diffraction, UV/Vis spectroscopy and density functional theory (DFT) calculations. Compound 3(BARF) exhibits a large majority of spin density at a two-coordinate phosphorus atom (0.74 a.u.) and a cationic charge located predominantly at the four-coordinate phosphorus atom (1.53 a.u.), which are separated by one carbon atom. This species represents an isolable entity of a phosphorus radical cation that is the closest to a genuine phosphorus DRC to date.
关键词	carbenes dicarbondiphosphide distonic radical cations phosphorus radicals
相关链接	[Scopus记录]
收录类别	SCI ; EI
语种	英语
重要成果	NI论文
学校署名	其他
资助项目	National Natural Science Foundation of China[21703084][21603280][21720102007] ; Tip-top Scientific and Technical Innovative Youth Talents of Guangdong Special Support Program[2019TQ05C926]
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000579173900001
出版者	WILEY-V C H VERLAG GMBH
EI入藏号	20204309378651
EI主题词	Density functional theory ; Electron spin resonance spectroscopy ; Ultraviolet visible spectroscopy ; Atoms ; Room temperature ; Single crystals ; Mass spectrometry ; Paramagnetic resonance ; Positive ions
EI分类号	Thermodynamics:641.1 ; Magnetism: Basic Concepts and Phenomena:701.2 ; Chemistry:801 ; Chemical Products Generally:804 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4 ; Crystalline Solids:933.1
ESI学科分类	CHEMISTRY
Scopus记录号	2-s2.0-85092717048
来源库	Scopus
引用统计	被引频次[WOS]：12
成果类型	期刊论文
条目标识符	http://sustech.caswiz.com/handle/2SGJ60CL/209321
专题	理学院_化学系深圳格拉布斯研究院
作者单位	1.College of Chemistry and Materials Science,Jinan University,Guangzhou,510632,China 2.Shenzhen Grubbs Institute and Department of Chemistry,Southern University of Science and Technology,Shenzhen,518055,China 3.Lehn Institute of Functional Materials (LIFM),School of Chemistry,Sun Yat-Sen University,Guangzhou,510275,China 4.State Key Laboratory of Elemento-Organic Chemistry,Nankai University,Tianjin,30071,China 5.Department of Chemistry and Applied Biosciences,ETH Zürich,Zürich,Vladimir-Prelog-Weg 1,8093,Switzerland
推荐引用方式 GB/T 7714	Chen，Xiaodan,Liu，Liu Leo,Liu，Shihua,et al. A Room-Temperature Stable Distonic Radical Cation[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2020,59(52):23830-23835.
APA	Chen，Xiaodan,Liu，Liu Leo,Liu，Shihua,Grützmacher，Hansjörg,&Li，Zhongshu.(2020).A Room-Temperature Stable Distonic Radical Cation.ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,59(52),23830-23835.
MLA	Chen，Xiaodan,et al."A Room-Temperature Stable Distonic Radical Cation".ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 59.52(2020):23830-23835.