AN AB-INITIO INVESTIGATION OF THE RH-I-CATALYZED HYDROBORATION OF C=C BONDS - EVIDENCE FOR HYDROGEN MIGRATION IN THE KEY STEP

被引：65

作者：

DORIGO, AE ^{[1
]}

SCHLEYER, PV ^{[1
]}

机构：

[1] UNIV ERLANGEN NURNBERG,INST ORGAN CHEM 1,COMP CHEM CENTRUM,D-91054 ERLANGEN,GERMANY

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1995年 / 34卷 / 01期

关键词：

AB INITIO CALCULATIONS; RHODIUM COMPOUNDS; CATALYSIS; HYDROBORATIONS;

D O I：

10.1002/anie.199501151

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Participation of several 14‐electron complexes as intermediates in the [Rh(PH3)3Cl]‐catalyzed addition of BH3 to alkenes is suggested by results of ab initio pseudopotential computations, which also indicate a preference for migration of a hydrogen atom rather than the BH2 group to the C  C bond in the key step. The calculations also provide a rationale for the diastereoselectivity of the reaction. The structure calculated for one of the intermediates is shown on the right. (Figure Presented.) Copyright © 1995 by VCH Verlagsgesellschaft mbH, Germany

引用

页码：115 / 118

页数：4

共 18 条

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