Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/21214
Title: First determination of ionization energies of phenylnitrene
Authors: Che, H
Bi, H
Ding, R
Wang, D
Meng, L
Zheng, S
Wang, D
Mok, DKW 
Chau, FT
Issue Date: 2003
Publisher: North-Holland
Source: Chemical physics letters, 2003, v. 382, no. 3-4, p. 291-296 How to cite?
Journal: Chemical physics letters 
Abstract: The continuous flowing beams of the triplet state phenylnitrene (PhN) species have been generated by respective pyrolysis of PhN3 at 83(±0.5)°C and phenylisocyanate (PhNCO) at 105(±0.5)°C in the quartz inlet tube loosely filled with a 30 Å 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 C2v symmetry and has a 3A2 ground state.
URI: http://hdl.handle.net/10397/21214
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2003.10.064
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