SIGMA-METATHESIS AS A CRITICAL STEP FOR THE TRANSITION-METAL-CATALYZED FORMATION OF FORMIC-ACID FROM CO2 AND H-2 - AN AB-INITIO INVESTIGATION

被引：60
|
作者：
HUTSCHKA, F
DEDIEU, A
LEITNER, W
机构：
[1] UNIV STRASBOURG 1,CHIM QUANT LAB,CNRS,UPR 139,F-67000 STRASBOURG,FRANCE
[2] UNIV JENA,MAX PLANCK GESELL,ARBEITSGRP CO2 CHEM,O-6900 JENA,GERMANY
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1995年 / 34卷 / 16期
关键词：
AB INITIO CALCULATIONS; CARBON DIOXIDE; CATALYSIS; HYDROGENATIONS; RHODIUM COMPOUNDS;
D O I：
10.1002/anie.199517421
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The hydrogenation of CO2 to formic acid catalyzed by three‐coordinate d8 hydridorhodium complexes has been studied by ab initio calculations on [HRh(PH3)2] as the model catalyst. A catalytic cycle involving a 2σ + 2σ metathesis reaction between H2 and [Rh(PH3)2(O2CH)], in which rhodium remains in the oxidation state I, is proposed as an alternative to the traditional pathway involving RhI/RhIII oxidation/reduction sequences. Copyright © 1995 by VCH Verlagsgesellschaft mbH, Germany
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页码：1742 / 1745
页数：4
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