Semiempirical study of metallocenes adsorption on β-MgCl2

被引：11

作者：

Ferreira, ML

Damiani, DE

Juan, A

机构：

[1] Univ Nacl Sur, CONICET, Planta Piloto Ingn Quim, RA-8000 Bahia Blanca, Argentina

[2] Univ Nacl Sur, Dept Fis, RA-8000 Bahia Blanca, Argentina

来源：

COMPUTATIONAL MATERIALS SCIENCE | 1998年 / 9卷 / 3-4期

关键词：

D O I：

10.1016/S0927-0256(97)00162-6

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

This work analyzes the adsorption of four metallocenes with different symmetry on two planes of beta-MgCl2: the (100) and the (110). The selected metallocenes are Cp2ZrCl2, Ind(2)ZrCl(2), EtInd(2)ZrCl(2) and Me(2)SiInd(2)ZrCl(2). The results of the calculations allow us to speculate that the chiral ansa metallocenes bridged with C2H4 could have chemical interaction with certain faces of the MgCl2 surface during the stage of adsorption and subsequent precursors treatment, while the interaction of the others with the surface generates stable species depending on the surface geometry. (C) 1998 Elsevier Science B.V.

引用

页码：357 / 366

页数：10

共 23 条

[1] MOLECULAR-STRUCTURES OF BIS(ETA-5-INDENYL)DIMETHYL DERIVATIVES OF TITANIUM, ZIRCONIUM, AND HAFNIUM [J].