New J. Chem.
 2015
DOI: 10.1039/c5nj01585e
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DFT study of dihydrogen addition to molybdenum π-heteroaromatic complexes: a prerequisite step for the catalytic hydrodenitrogenation process

Evgenii O. Fetisov
1
,
I. P. Gloriozov
2
,
Denis A. Kissounko
3
et al.

Abstract: The mechanism proceeds via consecutive steps of oxidative H2 addition, hydrogen metal-to-ligand transfer, accompanied by a change of metal–ligand hapticity.

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