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 Citations (Scopus)

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
Pages (from-to)1139-1142
Number of pages4
JournalTetrahedron Letters
Volume24
Issue number11
DOIs
StatePublished - 1983
Externally publishedYes

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Organometallics

ASJC Scopus subject areas

  • Biochemistry
  • Organic Chemistry
  • Drug Discovery

Cite this

The stability of a bis-pyramidal D4h structure for the fulvalene dication. / Moriarty, Robert M.; John, Lian S.; A. Luxon, Bruce.

In: Tetrahedron Letters, Vol. 24, No. 11, 1983, p. 1139-1142.

Research output: Contribution to journalArticle

Moriarty, Robert M. ; John, Lian S. ; A. Luxon, Bruce. / The stability of a bis-pyramidal D4h structure for the fulvalene dication. In: Tetrahedron Letters. 1983 ; Vol. 24, No. 11. pp. 1139-1142.
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