First experimental observation of the CH3Se radical

Qiao Sun, Zhen Li, Xiaoqing Zeng, Weigang Wang, Zheng Sun, Maofa Ge, Dianxun Wang, Kam Wah Mok, Foo Tim Chau

Research output: Journal article publicationJournal articleAcademic researchpeer-review

5 Citations (Scopus)

Abstract

A continuously flowing CH3Se radical beam is generated in the gas phase for the first time by direct pyrolysis of CH3SeSeCH3in the presence of a 15 Å molecular sieve. Photoelectron spectroscopic measurements as well as DFT and Gaussian-2 calculations show that the CH3Se radical has an electronic X̃2E ground state with C3vsymmetry and a first adiabatic ionization energy of 8.78 eV (see picture). (Figure Presented) KGaA.
Original languageEnglish
Pages (from-to)2032-2035
Number of pages4
JournalChemPhysChem
Volume6
Issue number10
DOIs
Publication statusPublished - 1 Oct 2005

Keywords

  • Ab initio calculations
  • Density functional theory
  • Franck-Condon factors
  • Photoelectron spectroscopy
  • Radicals

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry

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