Isomer distribution and structure of (2,2′-biphenyldiolato)bis(β-diketonato)titanium(IV) complexes: A single crystal X-ray, solution NMR and computational study

Annemarie Kuhn, Tsietsi A. Tsotetsi, Alfred Muller, Jeanet Conradie

Research output: Contribution to journalArticlepeer-review

24 Citations (Scopus)

Abstract

Novel dichlorobis(β-diketonato)titanium(IV) Ti(C6H5COCHCOR)2Cl2 and (2,2′-biphenyldiolato)bis(β-diketonato)titanium(IV) Ti(C6H5COCHCOR)2biphen complexes with R = CH3, C6H5 and CF3, are synthesized and characterized by X-ray crystallography and further physical methods. There is a good agreement between DFT calculated and experimental structural data. A configurational analysis gives a calculated isomer distribution that is in agreement with the experimental data derived from low temperature 1H NMR spectroscopy. The Ti(C6H5COCHCOR)2biphen complexes exhibit high hydrolytic stability.

Original languageEnglish
Pages (from-to)3088-3096
Number of pages9
JournalInorganica Chimica Acta
Volume362
Issue number9
DOIs
Publication statusPublished - 1 Jul 2009
Externally publishedYes

Keywords

  • DFT
  • Isomer distribution
  • Structure
  • Titanium
  • β-Diketonato

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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