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 language | English (US) |
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Pages (from-to) | 1139-1142 |
Number of pages | 4 |
Journal | Tetrahedron Letters |
Volume | 24 |
Issue number | 11 |
DOIs | |
State | Published - 1983 |
Externally published | Yes |
ASJC Scopus subject areas
- Biochemistry
- Drug Discovery
- Organic Chemistry