Geometry dependence of the proton affinities in the electronic ground, excited triplet and ionized doublet states of H2CO and H2COH+

Otto P. Strausz, Ede Kapuy, Cornelia Kozmutza, Michael A. Robb, Imre G. Csizmadia

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The ionization potential of the closed shell H2CO, H2COH+, H2COH22+ as well as the proton affinity of H2CO and H2COH+ have been studied at a variable CO bond length in the ground singlet and some of the low lying excited triplet and ionized doublet states.

Original languageEnglish
Pages (from-to)235-245
Number of pages11
JournalJournal of Molecular Structure: THEOCHEM
Volume89
Issue number3-4
DOIs
Publication statusPublished - Oct 1982

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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