ICCAS OpenIR
Vacuum preparation and ionization energies of FN3 and IN3
Che, HJ; Bi, HM; Zeng, YL; Meng, LP; Zheng, SJ; Chau, FT; Wang, DX
2003-03-17
Source PublicationCHEMPHYSCHEM
ISSN1439-4235
Volume4Issue:3Pages:300-+
AbstractFlowing beams of FN3 and IN3 gas were directly prepared on-line to a Hel photoelectron spectrometer. The ionization energies corresponding to removing electrons from different molecular orbitals of both FN3 and IN3 were determined by photoelectron spectroscopy experiments and by both restricted outer valence Green's function (ROVGF) and ab initio Gaussian 2 (G2) calculations. The experimental results (see graphic) are in excellent agreement with the theoretical ones. The first PES ionization energies of FN3 and IN3 are 10.86 and 9.34 eV, respectively.
KeywordAb Initio Calculations Azides Halogens Ionization Potentials Photoelectron Spectroscopy Rovgf Calculations
Indexed BySCI
Language英语
WOS IDWOS:000181790700010
PublisherWILEY-V C H VERLAG GMBH
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/80706
Collection中国科学院化学研究所
Corresponding AuthorChe, HJ
Affiliation1.Hong Kong Polytech Univ, Dept Appl Biol & Chem Technol, Kowloon, Hong Kong, Peoples R China
2.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, 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,Zeng, YL,et al. Vacuum preparation and ionization energies of FN3 and IN3[J]. CHEMPHYSCHEM,2003,4(3):300-+.
APA Che, HJ.,Bi, HM.,Zeng, YL.,Meng, LP.,Zheng, SJ.,...&Wang, DX.(2003).Vacuum preparation and ionization energies of FN3 and IN3.CHEMPHYSCHEM,4(3),300-+.
MLA Che, HJ,et al."Vacuum preparation and ionization energies of FN3 and IN3".CHEMPHYSCHEM 4.3(2003):300-+.
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