Computational aspects of hydroformylation

Research output: Contribution to journalArticle

16 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)4304-4327
Number of pages24
JournalRSC Advances
Volume5
Issue number6
DOIs
Publication statusPublished - 2015

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Hydroformylation
Computational chemistry
Catalyst selectivity
Coordination Complexes
Metal complexes
Transition metals
Catalyst activity
Catalysts

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Chemistry(all)

Cite this

Computational aspects of hydroformylation. / Kégl, T.

In: RSC Advances, Vol. 5, No. 6, 2015, p. 4304-4327.

Research output: Contribution to journalArticle

Kégl, T. / Computational aspects of hydroformylation. In: RSC Advances. 2015 ; Vol. 5, No. 6. pp. 4304-4327.
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