Studies on HeI ultraviolet photoelectron spectra and electronic structure of N-(2-bromo-ethyl)carbazole and N-ethenylcarbazole

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	Studies on HeI ultraviolet photoelectron spectra and electronic structure of N-(2-bromo-ethyl)carbazole and N-ethenylcarbazole
	Chen, RZ ; Zheng, SJ ; Ren, J ; Wang, DX
刊名	ACTA CHIMICA SINICA
	1999
卷号	57 期号:7 页码:718-723
关键词	n - (2-bromo - Ethyl) Carbazole n - Ethenylcarbazole Hei Ultraviolet Photoelectron Spectra(Ups) Rhf/6-31g
ISSN号	0567-7351
英文摘要	HeI ultraviolet photoelectron spectra (UPS) of N - (2 - bromo - ethyl) carbazole and N ethenylcarbazole are recorded for the first time. Using the configuration optimized at RHF/6 - 31G level, the SCF MO calculations of the tyro compounds are carried out at RHF/6 - 31G* level. The UPS of the two compounds are assigned and the electronic structures are discussed based on the SCF MO calculations, contrasting with the ionization potentials (IPs) changing rules of carbazole and N - alkylcarbazole. The result shows that the UPS of N - (2 - bromo - ethyl) carbazole exists two lone - pair ionization bands of Br atom at 10.295, 10.540eV, which is different from that of N - alkylcarbazole. The special IPs changing rules of N - ethenylcarbazole compared with carbazole show that the molecule is almost planar.
语种	英语
出版者	ACTA CHIMICA SINICA
WOS记录号	WOS:000081781700012
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/75079]
专题	中国科学院化学研究所
通讯作者	Chen, RZ
作者单位	1.Hebei Normal Univ, Dept Chem, Shijiazhuang 050091, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Chen, RZ,Zheng, SJ,Ren, J,et al. Studies on HeI ultraviolet photoelectron spectra and electronic structure of N-(2-bromo-ethyl)carbazole and N-ethenylcarbazole[J]. ACTA CHIMICA SINICA,1999,57(7):718-723.
APA	Chen, RZ,Zheng, SJ,Ren, J,&Wang, DX.(1999).Studies on HeI ultraviolet photoelectron spectra and electronic structure of N-(2-bromo-ethyl)carbazole and N-ethenylcarbazole.ACTA CHIMICA SINICA,57(7),718-723.
MLA	Chen, RZ,et al."Studies on HeI ultraviolet photoelectron spectra and electronic structure of N-(2-bromo-ethyl)carbazole and N-ethenylcarbazole".ACTA CHIMICA SINICA 57.7(1999):718-723.