Activation of the S-H group in Fe(μ2-SH)Fe clusters: S-H bond strengths and free radical reactivity of the Fe(μ2-SH)Fe cluster

Journal of the American Chemical Society

Volumn 131, Issue 42, 2009, Pages 15212-15224

  Franz, James A ^a   Lee, Suh Jane ^a   Bowden, Thomas A ^a   Alnajjar, Mikhail S ^a   Appel, Aaron M ^a   Birnbaum, Jerome C ^a   Bitterwolf, Thomas E ^b   Dupuis, Michel ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF IDAHO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZYL RADICALS; BOND DISSOCIATION ENTHALPIES; BOND-DISSOCIATION FREE ENERGIES; BRIDGE STRUCTURES; DFT CALCULATION; FE ATOMS; FE CLUSTERS; FERROCENES; GASPHASE; H-BOND STRENGTH; HYDROGEN ATOM ABSTRACTION; HYDROGEN ATOMS; LOW-VALENT; NMR ASSIGNMENT; NMR CHEMICAL SHIFTS; ORDERS OF MAGNITUDE; SPIN DENSITIES; TEMPERATURE DEPENDENT; THIOPHENOLS;

ABSTRACTING; ACETONITRILE; ATOMS; BENZENE; BOND STRENGTH (MATERIALS); CHEMICAL BONDS; DISSOCIATION; FREE ENERGY; FREE RADICALS; HYDROGEN; IRON COMPOUNDS; ISOMERS; NUCLEAR MAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; SULFUR; SULFUR COMPOUNDS;

RATE CONSTANTS;

HYDROGEN; IRON DERIVATIVE; SULFUR; THIOPHENOL;

ARTICLE; CATALYST; CHEMICAL BOND; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; IONIC STRENGTH; KINETICS; NUCLEAR MAGNETIC RESONANCE; PHOTOLYSIS; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 70350326297     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja904602p     Document Type: Article

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