The role of tautomerization in acetylacetone as a complexing agent: Theoretical perspectives

Aned de Leon*, M. C. Acosta-Enríquez, Abraham F. Jalbout, A. Apolinar-Iribe, S. J. Castillo

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)90-93
Number of pages4
JournalJournal of Molecular Structure: THEOCHEM
Volume957
Issue number1-3
DOIs
StatePublished - Oct 2010

Keywords

  • Acetylacetone
  • CdS
  • Complexing agent
  • Tautomers

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