Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide

doi:10.1063/1.2191497

IMR OpenIR

	Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide
	Zhang, YS ; Yao, KL ; Liu, ZL ; Yu, LH ; Wang, XL
通讯作者	Zhang, YS(zhangysthinker@hotmail.com)
	2006-04-14
发表期刊	JOURNAL OF CHEMICAL PHYSICS
ISSN	0021-9606
卷号	124 期号:14 页码:5
摘要	The ferromagnetic phenyl nitronyl nitroxide derivate alpha-phase 2-(2('),5(')-dihydroxyphenyl)- 4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide has been studied by the electronic structure calculation based on the density functional theory. The result shows that the spin delocalization due to hyperconjugation effect plays an important role in the spin distribution and ferromagnetic coupling of the crystal.
DOI	10.1063/1.2191497
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000236796700066
出版者	AMER INST PHYSICS
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/87112
专题	中国科学院金属研究所
通讯作者	Zhang, YS
作者单位	1.Huazhong Univ Sci & Technol, Dept Phys, Wuhan 430074, Peoples R China 2.Huazhong Univ Sci & Technol, State Key Lab Laser Technol, Wuhan 430074, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China
推荐引用方式 GB/T 7714	Zhang, YS,Yao, KL,Liu, ZL,et al. Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide[J]. JOURNAL OF CHEMICAL PHYSICS,2006,124(14):5.
APA	Zhang, YS,Yao, KL,Liu, ZL,Yu, LH,&Wang, XL.(2006).Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide.JOURNAL OF CHEMICAL PHYSICS,124(14),5.
MLA	Zhang, YS,et al."Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide".JOURNAL OF CHEMICAL PHYSICS 124.14(2006):5.