Issue 6, 2015

Computational aspects of hydroformylation

Abstract

The influence of transition metal complexes as catalysts upon the activity and selectivity of hydroformylation reactions has been extensively investigated during the last decades. Nowadays computational chemistry is an indispensable tool for elucidation of reaction mechanisms and for understanding the various aspects which govern the outcome of catalytic reactions. This review attempts to survey the recent literature concerning computational studies on hydroformylation and theoretical coordination chemistry results related to hydroformylation.

Graphical abstract: Computational aspects of hydroformylation

Article information

Article type
Review Article
Submitted
25 Oct 2014
Accepted
04 Dec 2014
First published
04 Dec 2014

RSC Adv., 2015,5, 4304-4327

Author version available

Computational aspects of hydroformylation

T. Kégl, RSC Adv., 2015, 5, 4304 DOI: 10.1039/C4RA13121E

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