期刊
INORGANIC CHEMISTRY
卷 55, 期 19, 页码 9602-9610出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.6b01310
关键词
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资金
- Department of Science and Technology (DST), India [SR/S2/JCB-09/2011]
- Council of Scientific and Industrial Research (CSIR) [EMR/2014/000520, 01(274)/13/EMR-II]
- DST-SERB
- BRNS
- CSIR
- DST
Design of an efficient new catalyst that can mimic the enzymatic pathway for catalytic dehydrogenation of liquid fuels like alcohols is described in this report. The catalyst is a nickel(II) complex of 2,6-bis(phenylazo)pyridine ligand (L); which possesses the above requisite with excellent catalytic efficiencies for controlled dehydrogenation of alcohols using ligand-based redox couple. Mechanistic studies supported by density functional theory calculations revealed that the catalytic cycle involves hydrogen atom transfer via quantum mechanical tunneling with significant k(H)/k(D) isotope effect of 12.2 +/- 0.1 at 300 K A hydrogenated intermediate compound, [(NiCL2)-C-II(H2L)], is isolated and characterized. The results are promising in the context of design of cheap and efficient earth-abundant metal catalyst for alcohol oxidation and hydrogen storage.
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