Unravelling the Reaction Mechanism of Formic Acid Dehydrogenation by CpRh(III) and CpCo(III) Catalysts with Proton-Responsive 4,4′- and 6,6′-Dihydroxy-2,2′-Bipyridine Ligands: A DFT Study

The catalytic mechanism of hydrogen production via formic acid decomposition by pentamethylcyclopentadienyl (Cp*) rhodium­(III) and cobalt­(III) catalysts with proton-responsive 4,4′-dihydroxy-2,2′-bipyridine (4L) and 6,6′-dihydroxy-2,2′-bipyridine (6L) ligands ([Cp*M­(4L)­(H 2 O)] 2+ and [Cp*M­(6L)...

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Veröffentlicht in:	Journal of physical chemistry. C 2019-10, Vol.123 (41), p.25061-25073
Hauptverfasser:	Johnee Britto, Neethinathan, Rajpurohit, Anil Singh, Jagan, Karunakaran, Jaccob, Madhavan
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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