A stable six-coordinate intermediate in ammonia-dinitrogen exchange at Schrock's molybdenum catalyst

Chemistry - A European Journal

Volumn 15, Issue 20, 2009, Pages 5073-5082

  Schenk, Stephan ^a   Kirchner, Barbara ^b   Reiher, Markus ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

Ammonia; Density functional calculations; Dinitrogen; Molybdenum; Reaction mechanisms

Indexed keywords

ADDITION-ELIMINATION; AMBIENT CONDITIONS; AMMONIA COMPLEXES; BINDING COMPLEXES; CATALYTIC CYCLES; CHELATE LIGANDS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL CALCULATIONS; DINITROGEN; EXCHANGE REACTION; FIRST-PRINCIPLES; INFRARED SPECTRUM; LIFE-TIME; MODEL ASSUMPTIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLYBDENUM CATALYST; QUANTUM-CHEMICAL METHODS; REACTION MECHANISMS; REDUCTION SEQUENCE; SCHROCK CATALYSTS; STRETCHING VIBRATIONS;

AMMONIA; CATALYSIS; CATALYSTS; INFRARED SPECTROSCOPY; MOLYBDENUM; STRETCHING; STRUCTURAL OPTIMIZATION;

MOLYBDENUM COMPOUNDS;

EID: 66149139230     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200802438     Document Type: Article

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