DFT modeling of the post-titanocene catalytic system LTiCl2-Bu2Mg-Et2AlCl for alkene polymerization: The role of alkyl bridge Mg-C-Ti and β-agostic C-H-Ti bonds in the formation of active centers
The effect of Mg-containing compounds in ethylene polymerization is discussed. The reactions of LTiCl2 with R2Mg/R2AlCl (R = Me, Et) are studied. The complexes LTiCl2·nRMgCl·(2 − n)R2AlCl (n = 1,2) are the primary products. The primary products isomerize into the active centers via the intermediate complexes. The energy barriers of the active center formation are small in the Mg-containing systems.
NGLC 2004-2010.National Geological Library of China All Rights Reserved.
Add:29 Xueyuan Rd,Haidian District,Beijing,PRC. Mail Add: 8324 mailbox 100083
For exchange or info please contact us via email.