The stability of a bis-pyramidal D4h structure for the fulvalene dication

Robert M. Moriarty, Lian S. John, Bruce A. Luxon

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

STO-3G calculations show that the D2h structure of the fulvalene dication 4 is an energy minimum with respect to this constraint lying some 21 kcal/mole above the singlet D2h (3) structure with both being less stable than triplet D2h (3). Analogies are drawn with organometallics.

Original languageEnglish (US)
Pages (from-to)1139-1142
Number of pages4
JournalTetrahedron Letters
Volume24
Issue number11
DOIs
StatePublished - 1983

ASJC Scopus subject areas

  • Biochemistry
  • Drug Discovery
  • Organic Chemistry

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