On the mechanism of the [Cp 2Mo(OH)(OH 2)] +-catalyzed nitrile hydration to amides: A theoretical study

Organometallics

Volumn 31, Issue 5, 2012, Pages 1618-1626

  Tílvez, Elkin ^a   Menéndez, María I ^a   López, Ramón ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM SOLVATION MODELS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTRON-WITHDRAWING SUBSTITUENTS; EXPLICIT WATER; GASPHASE; HYDRATION PROCESS; HYDROGEN MIGRATION; LACTONITRILE; NITROGEN ATOM; NUCLEOPHILIC MECHANISMS; PROPIONITRILE; RATE-LIMITING STEPS; REACTION MECHANISM; THEORETICAL STUDY; WATER SOLUTIONS;

ACETONITRILE; AMIDES; CATALYSIS; ENERGY BARRIERS; GASES; GIBBS FREE ENERGY; HYDRATION; HYDROGEN; MOLYBDENUM COMPOUNDS; OXYGEN; REACTION RATES;

CYANIDES;

EID: 84858134201     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om200541z     Document Type: Article

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