Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/13496
Title: Vacuum preparation and ionization energies of FN3 and IN3
Authors: Che, H
Bi, H
Zeng, Y
Meng, L
Zheng, S
Chau, FT
Wang, D
Keywords: Ab initio calculations
Azides
Halogens
Ionization potentials
Photoelectron spectroscopy
ROVGF calculations
Issue Date: 2003
Publisher: Wiley-V C H Verlag Gmbh
Source: Chemphyschem, 2003, v. 4, no. 3, p. 300-303 How to cite?
Journal: ChemPhysChem 
Abstract: Reactions in the pipeline: Flowing 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.
URI: http://hdl.handle.net/10397/13496
ISSN: 1439-4235
DOI: 10.1002/cphc.200390049
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