ICCAS OpenIR
Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds
Guo Jianxin; Zhang Qiyuan
1996
Source PublicationACTA PHYSICO-CHIMICA SINICA
ISSN1000-6818
Volume12Issue:9Pages:780-785
AbstractThe molecular geometry and the electronic structure of 2-pyrazoline(PZL), 1,3-biphenyl-2-pyrazoline (DPP) and their nitro derivatives are calculated. The results show that atoms in PZL ring in ground state are not located in a common plane bee se of the existence of the lone electron pair at atom N-1, and the benzene rings at 1-position and 3-position deviate off the plane of PZL ring. For the excited states of 1,o-DPP and 3,o-DPP, the corresponding benzene rings are perpendicular to the PZL ring, and the electrons are transfered from N-1 to the corresponding benzene rings. For the excited states of other cases, the benzene rings are nearly in the same plane as that of PZL ring, and the electron are transfered from N-1 to the position between N-2-C-3.
Keyword2-pyrazoline Compound Electron Transfer Molecular Structure The First Excited Singlet State
DOI10.3866/PKU.WHXB19960903
Indexed BySCI
Language英语
WOS IDWOS:000207600200003
PublisherPEKING UNIV PRESS
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Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74070
Collection中国科学院化学研究所
Corresponding AuthorGuo Jianxin
AffiliationAcad Sinica, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Guo Jianxin,Zhang Qiyuan. Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds[J]. ACTA PHYSICO-CHIMICA SINICA,1996,12(9):780-785.
APA Guo Jianxin,&Zhang Qiyuan.(1996).Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds.ACTA PHYSICO-CHIMICA SINICA,12(9),780-785.
MLA Guo Jianxin,et al."Study of the Intramolecular Electron Transfer of Diphenyl-2-pyrazoline Compounds".ACTA PHYSICO-CHIMICA SINICA 12.9(1996):780-785.
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