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

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	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
	Y. S. Zhang; K. L. Yao; Z. L. Liu; L. H. Yu; X. L. Wang
	2006
发表期刊	Journal of Chemical Physics
ISSN	0021-9606
卷号	124 期号:14
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.
部门归属	huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china. huazhong univ sci & technol, state key lab laser technol, wuhan 430074, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;zhang, ys (reprint author), huazhong univ sci & technol, dept phys, wuhan 430074, peoples r china;zhangysthinker@hotmail.com
关键词	Nitronyl Nitroxide Organic Ferromagnet Neutron-diffraction Radicals Density Temperature Transition Magnets
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34727
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. S. Zhang,K. L. Yao,Z. L. Liu,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).
APA	Y. S. Zhang,K. L. Yao,Z. L. Liu,L. H. Yu,&X. L. Wang.(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).
MLA	Y. S. Zhang,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).