MO LCAO calculations of the electronic spectra of the anions of 2-acyl-1, 3-diketones and certain other Β-diketones

Autor: Gren, E. Ya., Vanag, G. Ya.
Zdroj: Theoretical and Experimental Chemistry; May 1967, Vol. 2 Issue: 3 p230-237, 8p
Abstrakt: The MO LCAO method (Hückel approximation) is used in an analysis of the electronic spectra of 2-acyl and 1-acyl-1, 3-diketones. It is found that the acyl group in the latter gives rise to a new electronic transition involving charge transfer to the acyl group. The effects of heteroatoms at positions 1 and 3 in the 1, 3-diketones are also examined.
Databáze: Supplemental Index