An electron momentum spectroscopy study of the highest occupied molecular orbital of chlorotrifluoromethane

X. J. Chen, C. C. Jia, C. K. Xu, G. Ouyang, L. L. Peng, S. X. Tian, K. Z. Xu

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

The highest occupied molecular orbital (HOMO) of chlorotrifluoromethane (CF3Cl) has been studied by binary (e, 2e) electron momentum spectroscopy (EMS) for the first time. Impact energy of 1200 eV plus binding energy and symmetric non-coplanar geometry are employed. The experimental momentum profile of HOMO is compared with Hartree-Fock (HF) and density functional theory (DFT-B3LYP) calculations. An outer-valence Green's function (OVGF) calculation of ionization potentials of outer-valence orbitals has also been carried out and compared with previous MS Xα calculations and photoelectron spectroscopy (PES) measurements.

Original languageEnglish (US)
Pages (from-to)76-80
Number of pages5
JournalChemical Physics Letters
Volume319
Issue number1-2
DOIs
StatePublished - Mar 10 2000
Externally publishedYes

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'An electron momentum spectroscopy study of the highest occupied molecular orbital of chlorotrifluoromethane'. Together they form a unique fingerprint.

  • Cite this