Aned de Leon , M.C. Acosta-Enríquez , Abraham F. Jalbout , A. Apolinar-Iribe , S.J. Castillo
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The role of tautomerization in acetylacetone as a complexing agent: Theoretical perspectives
The interaction between CdS and acetylacetone as a complexing agent is examined. We have performed conformational searches, optimizations and frequency calculations in the MP2/LANL2DZ level of theory. The importance of acetylacetone lies in its ability to tautomerize and form stable compounds through the accessibility of the physical position of its oxygens.
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