Concerted or stepwise hydrogen transfer in the transfer hydrogenation of acetophenone catalyzed by ruthenium-acetamido complex: A theoretical mechanistic investigation

Journal of Physical Chemistry A

Volumn 115, Issue 44, 2011, Pages 12321-12330

  Guo, Xiaojia ^a,b   Tang, Yanhui ^c   Zhang, Xin ^a,b   Lei, Ming ^a,b  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b PEKING UNIVERSITY   (China)

^c BEIJING INSTITUTE OF FASHION TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACETAMIDO; ACETOPHENONES; AMINO GROUP; CATALYTIC CYCLES; DENSITY FUNCTION THEORY; DFT STUDY; HYDRIDE TRANSFERS; HYDROGEN TRANSFER; HYDROXYL GROUPS; INNERSPHERE MECHANISM; ISOPROPANOL; OXYGEN ATOM; RATE DETERMINING STEP; THEORETICAL RESULT; TRANSFER HYDROGENATIONS;

CATALYSIS; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; HYDRIDES; HYDROGEN; HYDROGENATION; KETONES; POTENTIAL ENERGY; PROTON TRANSFER; RUTHENIUM; RUTHENIUM COMPOUNDS;

SPHERES;

ACETOPHENONE; ACETOPHENONE DERIVATIVE; HYDROGEN; ORGANOMETALLIC COMPOUND; RUTHENIUM;

ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGENATION; THERMODYNAMICS;

ACETOPHENONES; CATALYSIS; HYDROGEN; HYDROGENATION; MODELS, MOLECULAR; ORGANOMETALLIC COMPOUNDS; RUTHENIUM; THERMODYNAMICS;

EID: 80455168710     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2046728     Document Type: Article

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