Theoretical Studies on Structure of Acetylacetonates of Zn(II), Cd(II) and Hg(II)
Corresponding Author(s) : M. Muthukumar
mahendramuthu@yahoo.com
Asian Journal of Chemistry,
Vol. 21 No. 1 (2009): Vol 21 Issue 1
Abstract
The molecular geometry of certain acetylacetonates of d 10 metals are investigated through quantum mechanical studies. Using ab initio molecular orbital (MO) computations the studies on acetylacetonates of Zn(II), Cd(II) and Hg(II) are presented. The interesting feature of the present structural analysis is that it reflect delocalization in the chelate rings.
Keywords
Acetylacetonates
Huckel Calculation ab initio computations
Hartree-Fock-Consistent- Field MO calculations
Neutral bond orbital analysis-molecular geometries
Muthukumar, M., & Balasubramanian, V. (2010). Theoretical Studies on Structure of Acetylacetonates of Zn(II), Cd(II) and Hg(II). Asian Journal of Chemistry, 21(1), 716–724. Retrieved from https://asianpubs.org/index.php/ajchem/article/view/18978
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