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Titanium Complexes Containing Bulky η 2 ‐1,2,4‐Triazolato Ligands
Author(s) -
MöschZanetti Nadia C.,
Hewitt Manuel,
Schneider Thomas R.,
Magull Jörg
Publication year - 2002
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/1099-0682(200205)2002:5<1181::aid-ejic1181>3.0.co;2-q
Subject(s) - chemistry , crystallography , ligand (biochemistry) , cyclopentadienyl complex , molecule , isopropyl , substituent , stereochemistry , nuclear magnetic resonance spectroscopy , metal , medicinal chemistry , biochemistry , receptor , organic chemistry , catalysis
The unusual η 2 ‐coordination of a 1,2,4‐triazolato ligand to a transition metal is described. The synthesized compounds [Ti(η 2 ‐tz) 4 ] ( 1 ), [(C 5 Me 4 CH 2 Ph)Ti(η 2 ‐tz)Cl 2 ] ( 2 ), [Cp*Ti(η 2 ‐tz)Cl 2 ] ( 3 ) and [Cp*Ti(η 2 ‐tz) 3 ] ( 4 ) (tzH = 3,5‐diisopropyl‐1,2,4‐triazole) were characterized by 1 H and 13 C NMR spectroscopy and, in the case of 1 and 2 , by X‐ray crystallography. Both structures confirm the η 2 ‐coordination of the ligand. In compound 1 all four ligands coordinate in an η 2 fashion leading to a metal center surrounded by eight nitrogen atoms. The core of the fragment formed by the central atom and the triazolato planes exhibits a distorted D 2 d symmetry. A variable temperature NMR spectroscopy experiment performed on 1 confirms the occurrence of two different isopropyl groups at low temperature. The structure of compound 2 shows the geometry of the molecule in a distorted C s symmetry, with the mirror plane perpendicular to the cyclopentadienyl and triazolato rings. The tz ligand is oriented in a transoid position relative to the benzyl substituent of the C 5 Me 4 CH 2 Ph group. (© Wiley‐VCH Verlag GmbH, 69451 Weinheim, Germany, 2002)