A theoretical investigation of structure of dinuclear titanium complexes

Citation
C. Martinsky et C. Minot, A theoretical investigation of structure of dinuclear titanium complexes, SURF SCI, 467(1-3), 2000, pp. 152-168
Citations number
61
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
SURFACE SCIENCE
ISSN journal
00396028 → ACNP
Volume
467
Issue
1-3
Year of publication
2000
Pages
152 - 168
Database
ISI
SICI code
0039-6028(20001110)467:1-3<152:ATIOSO>2.0.ZU;2-2
Abstract
We investigate different couplings of TiCln (dimerisation to TiCln-1CH3 and complexation by magnesium chloride) and their consequences for the reactiv ity towards ethene. The dimerisation results from the donation of an electr on pair from a chlorine ligand to the metal and leads to bridging structure s. Alkyl groups also bridge two metal centres of the dinuclear complexes. T his is much more favourable than the connection as terminal ligands that is the only possibility in the case of mononuclear complexes. This change in the adsorption mode favours the first step of the propagation reaction of t he Ziegler-Natta reaction (CH3-->C3H7) by a stabilisation of the end produc t. (C) 2000 Elsevier Science B.V. All rights reserved.