SUMMARY:The electronic structure and geometry of polymethylaluminoxane (MAO) [ 1Al(CH 3 )O1 ] n with different size (n = 4 -12) have been studied using quantum-chemical DFT (density functional theory) calculations. It has been found: 1) Starting from n = 6, the three-dimensional oxo-bridged (cage) structure of MAO is more stable than the cyclic structure. 2) Both for cage structure and for cyclic structure the Lewis acidity
Extended X-ray absorption fine structure analysis (EXAFS) has been used to study supported TiCl,/MgCI, catalysts containing 1.8 wt.-% Ti. Adsorbed TiCI, was found to exist on the MgC12 surface as a dimeric complex. The possible structures of dimeric TiC14 complexes on the (100) face of MgCl, are discussed.
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