Computational aspects of hydroformylation

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 t...

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Bibliographic Details
Published in:RSC advances 2015-01, Vol.5 (6), p.434-4327
Main Author: Kégl, Tamás
Format: Article
Language:English
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Summary: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. This review is to focus on computational studies on hydroformylation and theoretical coordination chemistry results related to hydroformylation.
ISSN:2046-2069
2046-2069
DOI:10.1039/c4ra13121e