The electronic structure and Raman spectroscopy of the first purely organic ferromagnet: beta para-nitrophenyl nitronyl nitroxide

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	The electronic structure and Raman spectroscopy of the first purely organic ferromagnet: beta para-nitrophenyl nitronyl nitroxide
	Xiao, CY ; Feng, K ; Mo, YJ ; Meng, QB ; Zhang, MY ; Wan, MX ; Zhao, JG
刊名	CHEMICAL PHYSICS
	1998-10-01
卷号	237 期号:1-2 页码:73-79
ISSN号	0301-0104
英文摘要	A purely organic ferromagnet, beta phase para-nitrophenyl nitronyl nitroxide (beta p-NPNN), was investigated by the UHF AM1 method of MOPAC (6.0). The geometry of stationary point of the p-NPNN molecule was obtained, hence this geometry served as a molecular isomer of beta p-NPNN for obtaining the spin density distribution and its electronic structure. Furthermore, the magnetic properties of beta p-NPNN were discussed. According to the Raman spectroscopy, the different vibration modes of p-NPNN were assigned. The results agreed to experiment well and gave a proper explanation. (C) 1998 Elsevier Science B.V. All rights reserved.
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000076276100008
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/74761]
专题	中国科学院化学研究所
通讯作者	Xiao, CY
作者单位	1.Chinese Acad Sci, Inst Phys, Ctr Condensed Matter, State Key Lab Surface Phys, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Inst Phys, Ctr Condensed Matter, State Key Lab Magnet, Beijing 100080, Peoples R China 3.Henan Univ, Dept Phys, Henan 475001, Peoples R China 4.Jilin Univ, Inst Theoret Chem, Changchun 130021, Peoples R China 5.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Xiao, CY,Feng, K,Mo, YJ,et al. The electronic structure and Raman spectroscopy of the first purely organic ferromagnet: beta para-nitrophenyl nitronyl nitroxide[J]. CHEMICAL PHYSICS,1998,237(1-2):73-79.
APA	Xiao, CY.,Feng, K.,Mo, YJ.,Meng, QB.,Zhang, MY.,...&Zhao, JG.(1998).The electronic structure and Raman spectroscopy of the first purely organic ferromagnet: beta para-nitrophenyl nitronyl nitroxide.CHEMICAL PHYSICS,237(1-2),73-79.
MLA	Xiao, CY,et al."The electronic structure and Raman spectroscopy of the first purely organic ferromagnet: beta para-nitrophenyl nitronyl nitroxide".CHEMICAL PHYSICS 237.1-2(1998):73-79.