Mechanistic insights into HCO <inf>2</inf> H dehydrogenation and CO <inf>2</inf> hydrogenation catalyzed by Ir(Cp*) containing tetrahydroxy bipyrimidine ligand: the role of sodium and proton shuttle
© The Royal Society of Chemistry. The mechanism of HCO 2 H dehydrogenation catalyzed by [IrCp*(H 2 O)(bpymO 4 H 4 )] 2+ (bpymO 4 H 4 = 2,2′,6,6′-tetrahydroxy-4,4′-bipyrimidine) was investigated using density functional theory. The relative free energy profiles at various protonation states correcte...
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| Main Authors: | , |
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| Format: | Article |
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2019
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| Online Access: | https://repository.li.mahidol.ac.th/handle/123456789/45517 |
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| Institution: | Mahidol University |