Why do cationic hydridoiridium(III) complexes with β-aminophosphane ligands favour the transfer hydrogenation of ketones over the direct "H2-hydrogenation"? - A computational approach

Puchta R, Dahlenburg L, Clark T (2008)


Publication Status: Published

Publication Type: Journal article, Original article

Publication year: 2008

Journal

Publisher: Wiley-VCH Verlag

Book Volume: 14

Pages Range: 8898-8903

Journal Issue: 29

DOI: 10.1002/chem.200701921

Abstract

Density functional theory and ab initio molecular orbital calculations show that the observed inability of cationic hydridoiridium(III) complexes with beta-aminophosphane ligands to catalyse the direct hydrogenation of carbonyl compounds with dihydrogen ("H-2-hydrogenation") in contrast to their ruthenium(II) equivalents is due to the inability of H-2 to displace a coordinated solvent molecule from an intermediate hydrido complex.

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How to cite

APA:

Puchta, R., Dahlenburg, L., & Clark, T. (2008). Why do cationic hydridoiridium(III) complexes with β-aminophosphane ligands favour the transfer hydrogenation of ketones over the direct "H2-hydrogenation"? - A computational approach. Chemistry - A European Journal, 14(29), 8898-8903. https://dx.doi.org/10.1002/chem.200701921

MLA:

Puchta, Ralph, Lutz Dahlenburg, and Timothy Clark. "Why do cationic hydridoiridium(III) complexes with β-aminophosphane ligands favour the transfer hydrogenation of ketones over the direct "H2-hydrogenation"? - A computational approach." Chemistry - A European Journal 14.29 (2008): 8898-8903.

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