Abstract
All-valence-electron SCF calculations support the linear "sesquiacetylenic" geometry in propargylic dianions. The two accompanying univalent cations are close to the central carbon, with an angle MC2M of 90°. The migration of lithium in allylic systems is interpreted as an intramolecular sigmatropic rearrangement.
Original language | English |
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Pages (from-to) | 313-317 |
Number of pages | 5 |
Journal | Theoretica Chimica Acta |
Volume | 29 |
Issue number | 4 |
DOIs | |
State | Published - 1 Dec 1973 |
Externally published | Yes |
ASJC Scopus subject areas
- Chiropractic