Understanding the reactivity of the tetrahedrally coordinated high-valence d0 transition metal oxides toward the C-H bond activation of alkanes: A cluster model study

Journal of Physical Chemistry A

Volumn 112, Issue 4, 2008, Pages 717-721

  Fu, Gang ^a   Chen, Zhe Ning ^a   Xu, Xin ^a   Wan, Hui Lin ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; CHARGE TRANSFER; CHEMICAL BONDS; ENERGY GAP; PARAFFINS; THERMODYNAMICS;

ABSTRACTION BARRIER; BOND ACTIVATION; ELECTRON TRANSFER; TRANSITION METAL OXIDES;

TRANSITION METAL COMPOUNDS;

ALKANE; OXIDE; TRANSITION ELEMENT;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; OXIDATION REDUCTION REACTION; PHYSICAL CHEMISTRY;

ALKANES; CATALYSIS; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDATION-REDUCTION; OXIDES; TRANSITION ELEMENTS;

EID: 39149127927     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp709651n     Document Type: Article

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