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

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Title:Synthesis, Characterization and Theoretical Evaluation of [Ti(NC4Me4)(NMe2)3] - A Complex with N-Bonded 2,3,4,5-Tetramethylpyrrolyl Ligand
Creators:
Dias, Alberto R.
Galvão, Adelino M.
Galvão, Ana C.
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 63, 2, pp. 182-186
Uncontrolled Keywords:Titanium, Organometallics, <i>Ab initio</i> methods, 2,3,4,5-Tetramethylpyrrolyl ligand

Abstract

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

Title:Synthesis, Characterization and Theoretical Evaluation of [Ti(NC4Me4)(NMe2)3] - A Complex with N-Bonded 2,3,4,5-Tetramethylpyrrolyl Ligand
Creators:
Dias, Alberto R.
Galvão, Adelino M.
Galvão, Ana C.
Uncontrolled Keywords:Titanium, Organometallics, <i>Ab initio</i> methods, 2,3,4,5-Tetramethylpyrrolyl ligand
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:63
Number:2
Page Range:pp. 182-186
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19980182UNSPECIFIED
ID Code:1285
Item Type:Article
Deposited On:06 Feb 2009 17:08
Last Modified:06 Feb 2009 16:08

Citation

Dias, Alberto R.; Galvão, Adelino M.; Galvão, Ana C. (1998) Synthesis, Characterization and Theoretical Evaluation of [Ti(NC4Me4)(NMe2)3] - A Complex with N-Bonded 2,3,4,5-Tetramethylpyrrolyl Ligand. Collection of Czechoslovak Chemical Communications, 63 (2). pp. 182-186. ISSN 0010-0765

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