Optimizing conditions for utilization of an H2 oxidation catalyst with outer coordination sphere functionalities

Dutta, Arnab; Ginovska, Bojana; Raugei, Simone; Roberts, John A.  S.; Shaw, Wendy J.

doi:10.1039/C6DT00280C

Optimizing conditions for utilization of an H₂ oxidation catalyst with outer coordination sphere functionalities

Journal Article · Fri Jan 01 04:00:00 EST 2016 · Dalton Transactions

DOI:https://doi.org/10.1039/C6DT00280C· OSTI ID:1388878

Dutta, Arnab ^[1]; Ginovska, Bojana ^[1]; Raugei, Simone ^[1]; Roberts, John A. S. ^[1]; Shaw, Wendy J. ^[1]

Pacific Northwest National Laboratory; Richland; USA

[Ni(PCy2NArginine2)2]2+(CyArg) or[Ni(PCy2NBenzyl2)2]2+(CyBn) were evaluated for H₂ oxidation as a function of temperature, pressure, and solvent. 70 °C and 100 atm H₂ result in a TOF of 1.1 × 106 s^-1 and an overpotential of 240 mV forCyArgin water. In methanol the rates were 280 s^-1forCyArg and 80 s^-1 for CyBn, demonstrating the importance of water and the outer coordination sphere (OCS).

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Molecular Electrocatalysis (CME)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1388878

Journal Information:: Dalton Transactions, Journal Name: Dalton Transactions Journal Issue: 24 Vol. 45; ISSN 1477-9226; ISSN ICHBD9

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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Optimizing conditions for utilization of an H2 oxidation catalyst with outer coordination sphere functionalities

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