First determination of ionization energies of phenylnitrene

Che Huijuan, Bi Huimin, Ding Rui, Wang Dong, Meng Lingpeng, Zheng Shijun, Wang Dianxun, Kam Wah Mok, Foo Tim Chau

Research output: Journal article publicationJournal articleAcademic researchpeer-review

9 Citations (Scopus)

Abstract

The continuous flowing beams of the triplet state phenylnitrene (PhN) species have been generated by respective pyrolysis of PhN3at 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 C2vsymmetry and has a3A2ground state.
Original languageEnglish
Pages (from-to)291-296
Number of pages6
JournalChemical Physics Letters
Volume382
Issue number3-4
DOIs
Publication statusPublished - 5 Dec 2003
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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