Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical

doi:10.1039/c4dt01074d

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	Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical
	Zhang, Zhuxia 1,2; Wang, Taishan 2; Xu, Bingshe 1; Wang, Chunru 2
刊名	DALTON TRANSACTIONS
	2014-09-14
卷号	43 期号:34 页码:12871-12875
ISSN号	1477-9226
DOI	10.1039/c4dt01074d
英文摘要	A metaltofullerene radical Y-2@C81N was synthesized and characterized by ESR spectroscopy and ab initio calculations. It was revealed that the molecule adopts an unique azafullerene C81N cage derived from C-82-C-2v(9), and two yttrium ions are entrapped to form the endohedral structure. The unpaired electron of Y-2@C81N radical was calculated to mainly localize on the Y-2 dimer, leading to large hyperfine coupling constants of 75.7 and 69.8 G for the two yttrium nuclei.
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000341064100009
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/53077]
专题	中国科学院化学研究所
通讯作者	Zhang, Zhuxia
作者单位	1.Taiyuan Univ Technol, Res Ctr Adv Mat Sci & Technol, Minist Educ, Key Lab Interface Sci & Engn Adv Mat, Taiyuan 030024, Peoples R China 2.Chinese Acad Sci, Inst Chem, Lab Mol Nanostruct & Nanotechnol, Being Natl Lab Mol Sci, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Zhuxia,Wang, Taishan,Xu, Bingshe,et al. Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical[J]. DALTON TRANSACTIONS,2014,43(34):12871-12875.
APA	Zhang, Zhuxia,Wang, Taishan,Xu, Bingshe,&Wang, Chunru.(2014).Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical.DALTON TRANSACTIONS,43(34),12871-12875.
MLA	Zhang, Zhuxia,et al."Paramagnetic and theoretical study of Y-2@C81N: an endohedral azafullerene radical".DALTON TRANSACTIONS 43.34(2014):12871-12875.