THE COADSORPTION OF TETRAMETHYLPIPERIDINE AND TICL4 ON BETA-MGCL2 - ATHEORETICAL-STUDY OF A ZIEGLER-NATTA PRE-CATALYST

Authors
FERREIRA ML CASTELLANI NJ DAMIANI DE JUAN A
Citation
Ml. Ferreira et al., THE COADSORPTION OF TETRAMETHYLPIPERIDINE AND TICL4 ON BETA-MGCL2 - ATHEORETICAL-STUDY OF A ZIEGLER-NATTA PRE-CATALYST, Journal of molecular catalysis. A, Chemical, 122(1), 1997, pp. 25-37
Citations number
44
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular catalysis. A, Chemical → ACNP
ISSN journal
13811169
Volume
122
Issue
1
Year of publication
1997
Pages
25 - 37
Database
ISI
SICI code
1381-1169(1997)122:1<25:TCOTAT>2.0.ZU;2-N
Abstract
An extended Huckel method (ICONC), which includes core-core repulsion energy terms, was used to characterise the MgCl2/2,2,6,6-tetramethylpi peridine (TMPiP)/TiCl4 system by modelling the TMPiP and TiCl4 adsorpt ion on the (100)-(101) and (110) faces of MgCl2. The results show how the amine modifies the chemical and electronic states of adsorbed TiCl 4. The appearance of complexes at the surface, previously studied by i nfrared spectroscopy is supported by our calculation. The geometrical and structural factors governing the formation of precursors of active sites for propylene polymerisation were also studied.