Collect. Czech. Chem. Commun. 1998, 63, 182-186

Synthesis, Characterization and Theoretical Evaluation of [Ti(NC4Me4)(NMe2)3] - A Complex with N-Bonded 2,3,4,5-Tetramethylpyrrolyl Ligand

Alberto R. Dias, Adelino M. Galvão and Ana C. Galvão

Centro de Química Estrutural, Complexo I, Instituto Superior Técnico, Av. Rovisco Pais, 1096 Lisboa Codex, Portugal


The complex [Ti(NC4Me4)(NMe2)3] has been synthesized, characterized by mass spectrometry, 1H and 13C NMR and theoretically studied by ab initio molecular orbital calculations. The N-σ-coordination mode of the heterocyclic ring was predicted by the 13C NMR data and confirmed by the optimized geometry of the model complex [Ti(NC4H4)(NMe2)3]. The different bonding modes of the 2,3,4,5-tetramethylpyrrolyl ligand are discussed.

Keywords: Organometallics; Titanium; 2,3,4,5-Tetramethylpyrrolyl ligand; Ab initio methods.