Ziegler-Natta catalytic systems: Calorimetric and DFT study on Ti Cl4-Lewis base interactions

Luigi Cavallo, J. M. Ducéré, Rosalisa Fedele, A. Melchior, Maria Chiara Mimmi, G. Morini, F. Piemontesi, Marilena Tolazzi*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

A calorimetric investigation on the reactions of TiCl4 with phthalates in 1,1,2,2-tetrachloroethane (TCE) is presented in order to better understand the complex interactions present in Ziegler-Natta catalytic systems. The Lewis bases diethyl isophthalate (L1), diethyl terephthalate (L2) and the ortho-isomer diethylphthalate (L3), have been chosen to study how the substituent positions could influence the energy and the stoichiometry of the complexation reactions. FTIR spectroscopy was used to obtain information on the coordination mode of the ligands and diffusion measurements by NMR was carried out to verify the presence of oligo-or polymeric species. Experimental results were compared with theoretical calculations based on Density Functional Theory (DFT).

Original languageEnglish (US)
Pages (from-to)101-106
Number of pages6
JournalJournal of Thermal Analysis and Calorimetry
Volume91
Issue number1
DOIs
StatePublished - Jan 1 2008

Keywords

  • Calorimetry
  • DFT
  • Diffusion-ordered NMR
  • Titanium tetrachloride
  • Ziegler-Natta catalysts

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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