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 language||English (US)|
|Number of pages||3|
|Journal||Journal of the American Chemical Society|
|State||Published - Mar 1 1987|
ASJC Scopus subject areas
- Colloid and Surface Chemistry