The proton affinities of the acetylene molecule, and of the acetylide and diacetylide ions

A. C. Hopkinson, I. G. Csizmadia

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Non-empirical LCAO-MO-SCF calculations using Gaussian basis sets were used to predict the geometry of the acetylide ion, proton affinities of 547·5, 391·6, and 166·1 kcal/mole being computed for C2 2-, C2H-, and C2H2, respectively.

Original languageEnglish
Pages (from-to)1291-1292
Number of pages2
JournalJournal of the Chemical Society D: Chemical Communications
Issue number20
DOIs
Publication statusPublished - Jan 1 1971

ASJC Scopus subject areas

  • Molecular Medicine

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