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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
1998-10-01
Source PublicationCHEMICAL PHYSICS
ISSN0301-0104
Volume237Issue:1-2Pages:73-79
AbstractA 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.
Indexed BySCI
Language英语
WOS IDWOS:000076276100008
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74762
Collection中国科学院化学研究所
Corresponding AuthorXiao, CY
Affiliation1.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
Recommended Citation
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.
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