Collect. Czech. Chem. Commun.
1998, 63, 182-186
https://doi.org/10.1135/cccc19980182
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
Abstract
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.
