Ab Initio Study of 2,3-Dilithiopropene

Andrzej Rajca, Andrew Streitwieser, Laren M. Tolbert

Research output: Contribution to journalArticle

11 Scopus citations

Abstract

Two local minima and one transition structure have been found in the potential energy surface for 2,3-dilithiopropene with use of the RHF/3-21G level of theory. The relative energies and vibrational harmonic frequency calculations indicate a highly fluxional molecule in which the bonding to lithium is essentially ionic.

Original languageEnglish (US)
Pages (from-to)1790-1792
Number of pages3
JournalJournal of the American Chemical Society
Volume109
Issue number6
DOIs
StatePublished - Mar 1 1987

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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