Theoretical insights on the mechanism of alkene epoxidation by H2O2 with titanium silicalite

被引：73
|
作者：
Neurock, M [1 ]
Manzer, LE [1 ]
机构：
[1] DUPONT CO INC,CENT RES & DEV,EXPTL STN,WILMINGTON,DE 19880
来源：
CHEMICAL COMMUNICATIONS | 1996年 / 10期
关键词：
D O I：
10.1039/cc9960001133
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Ethlene preferentially attacks the oxygen closest to the titanium in HOO-Ti(OSiH3)(3)(MeOH) and HOO-TiL(3) (MeOH) cluster models of the active Ti-site in TS1 due to a substantially reduced electrostatic repulsion.
引用
收藏
页码：1133 / 1134
页数：2
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