Moving protons with pendant amines: Proton mobility in a nickel catalyst for oxidation of hydrogen

Journal of the American Chemical Society

Volumn 133, Issue 36, 2011, Pages 14301-14312

  O'Hagan, Molly ^a   Shaw, Wendy J ^a   Raugei, Simone ^a   Chen, Shentan ^a   Yang, Jenny Y ^a   Kilgore, Uriah J ^a   Dubois, Daniel L ^a   Bullock, R Morris ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL PROCESS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DIOXYGENS; EXPERIMENTAL OBSERVATION; FAST RATE; HOMOGENEOUS CATALYST; HYDROGEN OXIDATION; HYDROGENASE ENZYMES; INTRAMOLECULAR PROTON TRANSFER; METAL CENTERS; MOLECULAR DYNAMICS SIMULATIONS; NICKEL CATALYST; NITROGEN ATOM; NMR TECHNIQUES; OXIDATION OF HYDROGEN; PROTON CHANNELS; PROTON EXCHANGE; PROTON EXCHANGE PROCESS; PROTON MOBILITY; PROTON MOVEMENTS; PROTON TRANSPORT; PROTONATED; RATE-LIMITING STEPS; VARIABLE TEMPERATURE;

CARBON DIOXIDE; DENSITY FUNCTIONAL THEORY; ELECTROCATALYSTS; ENZYMES; HYDROGEN; ISOMERS; MOLECULAR DYNAMICS; OXIDATION; PROTON TRANSFER; RATE CONSTANTS;

AMINES;

1,5 DIBENZYL 3,7 DICYCLOHEXYL 1,5 DIAZA 3,7 DIPHOSPHACYCLOOCTANE; AMINE; CYCLOOCTANE DERIVATIVE; ENZYME; HYDROGEN; METAL; NICKEL; NITROGEN; OXIDOREDUCTASE; PROTON; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; ATOM; CATALYST; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; HYDROGEN BOND; INFORMATION; ISOMER; ISOMERIZATION; KINETICS; NUCLEAR MAGNETIC RESONANCE; OXIDATION; PROTON TRANSPORT; TEMPERATURE;

AMINES; CATALYSIS; HYDROGEN; MAGNETIC RESONANCE SPECTROSCOPY; NICKEL; OXIDATION-REDUCTION; PROTONS;

EID: 80052565457     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja201838x     Document Type: Article

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