An electron momentum spectroscopy study on through-space and through-bond interactions in 1,4-diazabicyclo[2.2.2]octane

Masahiko Takahashi, Motoaki Matsuo, Yasuo Udagawa

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

Electron momentum spectroscopy is applied to study the two outermost orbitals of 1,4-diazabicyclo[2.2.2]octane. From the experimental momentum profiles, it has been unambiguously concluded that through-bond interaction dominates in this molecule and that the highest occupied molecular orbital is totally symmetric while the next highest occupied molecular orbital is anti-symmetric. The importance of diffuse functions in elucidating the electronic structure of molecules is confirmed.

Original languageEnglish
Pages (from-to)195-198
Number of pages4
JournalChemical Physics Letters
Volume308
Issue number3-4
DOIs
Publication statusPublished - 1999 Jul 23

ASJC Scopus subject areas

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

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