CNDO/BW study of prototropy in 2-acetyl-1,3-indandione.

Autor: Shagun, V., Sidorkin, V., Usov, V., Voronkov, M.
Zdroj: Bulletin of the Academy of Sciences of The USSR, Division of Chemical Science; 1981, Vol. 30 Issue 8, p1417-1421, 5p
Abstrakt: CNDO/BW methods have been used to determine optimal conformations of potentially prototropic forms of 2-acetyl-1,3-indandione and optimal paths for intramolecular proton transfer within the molecule. Possible mechanisms for external prototropy are discussed. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index