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Theoretical investigation of (MgCl 2 ) x polynuclear species formed during preparation of MgCl 2 ‐supported Ziegler–Natta catalysts from solid solvates
Author(s) -
Auriemma Finizia,
De Rosa Claudio
Publication year - 2008
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889807054453
Subject(s) - natta , diffraction , catalysis , adduct , chemistry , x ray crystallography , electron diffraction , polymerization , crystallography , lewis acids and bases , ziegler–natta catalyst , base (topology) , organic chemistry , physics , optics , polymer , mathematical analysis , mathematics , ethylene
A novel approach for the study of the nature of the active species in Ziegler–Natta catalysis is described. This approach is based on the study of reliable structural models for disordered (MgCl 2 ) x polynuclear species which develop during the preparation of MgCl 2 ‐supported catalysts starting from MgCl 2 –Lewis‐base adducts, and the calculation of X‐ray diffraction patterns of these models. A method for the calculation of the X‐ray powder diffraction patterns of the model structures is devised. This diffraction modelling method may be useful for the correct interpretation of the nature of some diffraction features in the X‐ray diffraction patterns recorded during the structural evolution of MgCl 2 –Lewis‐base adducts, which occurs in the preparation of the catalyst systems used for Ziegler–Natta polymerization of olefins.