ICCAS OpenIR
First determination of ionization energies of phenylnitrene
Che, HJ; Bi, HM; Ding, R; Wang, D; Meng, LP; Zheng, SJ; Wang, DX; Mok, DKW; Chau, FT
2003-12-05
Source PublicationCHEMICAL PHYSICS LETTERS
ISSN0009-2614
Volume382Issue:3-4Pages:291-296
AbstractThe continuous flowing beams of the triplet state phenylnitrene (PhN) species have been generated by respective pyrolysis of PhN3 at 83(+/-0.5) degreesC and phenylisocyanate (PhNCO) at 105(+/-0.5) degreesC in the quartz inlet tube loosely filled with a 30 A molecular sieve powder supported on the quartz wool. PE spectrum of PhN is recorded in situ for the first time. The ionization energies, corresponding to different ionic states of PhN+, are determined by PES experiment and both G2 and DFT calculations. The study indicates that PhN is a diradical with C-2v symmetry and has a (3)A(2) ground state. (C) 2003 Elsevier B.V. All rights reserved.
DOI10.1016/j.cplett.2003.10.064
Indexed BySCI
Language英语
WOS IDWOS:000186927700011
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/80120
Collection中国科学院化学研究所
Corresponding AuthorWang, DX
Affiliation1.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China
2.Hong Kong Polytech Univ, Dept Appl Biol & Chem Technol, Kowloon, Hong Kong, Peoples R China
3.Hebei Normal Univ, Open Lab Computat Quantum Chem, Shijiazhuang 050091, Peoples R China
Recommended Citation
GB/T 7714
Che, HJ,Bi, HM,Ding, R,et al. First determination of ionization energies of phenylnitrene[J]. CHEMICAL PHYSICS LETTERS,2003,382(3-4):291-296.
APA Che, HJ.,Bi, HM.,Ding, R.,Wang, D.,Meng, LP.,...&Chau, FT.(2003).First determination of ionization energies of phenylnitrene.CHEMICAL PHYSICS LETTERS,382(3-4),291-296.
MLA Che, HJ,et al."First determination of ionization energies of phenylnitrene".CHEMICAL PHYSICS LETTERS 382.3-4(2003):291-296.
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