Spin-orbit coupling effect and intramolecular orbital interactions: Penning ionization of CH2BrCl, CHBrCl2, and CH2BrCN by collision with He*(23S) metastable atoms

Sha Xi Tian, Naoki Kishimoto, Koichi Ohno

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12 Citations (Scopus)


He*(23S) Penning ionization electron spectra (PIES) as well as He I ultraviolet photoelectron spectra have been measured for CH2BrCl, CHBrCl2, and CH2BrCN. For the lower ionization-potential bands, spin-orbit split states are assigned in the spectra for CH2BrCl and CH2BrCN, whereas valence-orbital, ionic states are assigned for CHBrCl2. These assignments are based on the fact that the intramolecular orbital interactions in CHBrCl2 are much stronger than those in the other molecules, whereas the spin-orbit coupling effects predominate for the other two molecules. Collision energy dependence of partial Penning ionization cross sections and the PIES indicate that the magnitudes of the attractive interactions in the electron distribution regions of the lone pair orbitals (n) of the Cl and Br atoms and the N atom in the CN group and πCN orbitals are in a sequence of nN ≫ nBr ∼ πCN > nCl.

Original languageEnglish
Pages (from-to)2137-2147
Number of pages11
JournalJournal of Physical Chemistry A
Issue number13
Publication statusPublished - 2003 Apr 3

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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