Comparison of the permanent electric dipole moments of ZrS and TiS

Robert R. Bousquet, Kei Ichi C Namiki, Timothy Steimle

Research output: Contribution to journalArticlepeer-review

14 Scopus citations

Abstract

The simple, single configuration, molecular orbital diagram was used to qualitatively predict the observed trends in the values of μ/r0 for early transition metal oxides and sulfides. The trends in μ/r0 in going across the Group 3 to Group 5 monoxides were explained without invoking a significant np metal centered atomic orbital contribution.

Original languageEnglish (US)
Pages (from-to)1566-1574
Number of pages9
JournalJournal of Chemical Physics
Volume113
Issue number4
DOIs
StatePublished - Jul 1 2000

ASJC Scopus subject areas

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

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