(E)-(Z) selectivity in 2-butene copolymerization by group 4 metallocenes.: A combined density functional theory and molecular mechanics study

被引:25
作者
Guerra, G
Longo, P
Corradini, P
Cavallo, L
机构
[1] Univ Naples Federico II, Dipartimento Chim, I-80134 Naples, Italy
[2] Univ Salerno, Dipartimento Chim, I-84081 Salerno, Italy
关键词
D O I
10.1021/ja9916308
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:8651 / 8652
页数:2
相关论文
共 31 条
[1]   STEREOSPECIFIC OLEFIN POLYMERIZATION WITH CHIRAL METALLOCENE CATALYSTS [J].
BRINTZINGER, HH ;
FISCHER, D ;
MULHAUPT, R ;
RIEGER, B ;
WAYMOUTH, RM .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (11) :1143-1170
[2]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[3]   A MODEL FOR THE HOMOGENEOUS ISOSPECIFIC ZIEGLER-NATTA POLYMERIZATION OF OLEFINS - ENANTIOSELECTIVITY IN THE DEUTERATION AND DEUTERIOOLIGOMERIZATION OF 1-ALKENES [J].
CAVALLO, L ;
GUERRA, G ;
VACATELLO, M ;
CORRADINI, P .
CHIRALITY, 1991, 3 (04) :299-306
[4]   A POSSIBLE MODEL FOR THE STEREOSPECIFICITY IN THE SYNDIOSPECIFIC POLYMERIZATION OF PROPENE WITH GROUP-4A METALLOCENES [J].
CAVALLO, L ;
GUERRA, G ;
VACATELLO, M ;
CORRADINI, P .
MACROMOLECULES, 1991, 24 (08) :1784-1790
[5]  
CORRADINI P, 1988, GAZZ CHIM ITAL, V118, P173
[6]   ANALYSIS OF MODELS FOR THE ZIEGLER-NATTA STEREOSPECIFIC POLYMERIZATION ON THE BASIS OF NON-BONDED INTERACTIONS AT THE CATALYTIC SITE .1. COSSEE MODEL [J].
CORRADINI, P ;
BARONE, V ;
FUSCO, R ;
GUERRA, G .
EUROPEAN POLYMER JOURNAL, 1979, 15 (12) :1133-1141
[7]  
Corradini P., 1988, COMPREHENSIVE POLYM, V4, P29
[8]   The role of bulky substituents in Brookhart-type Ni(II) diimine catalyzed olefin polymerization: A combined density functional theory and molecular mechanics study [J].
Deng, LQ ;
Woo, TK ;
Cavallo, L ;
Margl, PM ;
Ziegler, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (26) :6177-6186
[9]   DETERMINATION OF THE COMPOSITION OF COMMON LINEAR LOW-DENSITY POLYETHYLENE COPOLYMERS BY C-13-NMR SPECTROSCOPY [J].
DEPOOTER, M ;
SMITH, PB ;
DOHRER, KK ;
BENNETT, KF ;
MEADOWS, MD ;
SMITH, CG ;
SCHOUWENAARS, HP ;
GEERARDS, RA .
JOURNAL OF APPLIED POLYMER SCIENCE, 1991, 42 (02) :399-408
[10]   SYNDIOSPECIFIC PROPYLENE POLYMERIZATIONS WITH GROUP-4 METALLOCENES [J].
EWEN, JA ;
JONES, RL ;
RAZAVI, A ;
FERRARA, JD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (18) :6255-6256