DFT study on the mechanism of PtCl 2-catalyzed rearrangement of cyclopropenes to allenes

Organometallics

Volumn 31, Issue 10, 2012, Pages 4020-4030

  Fang, Ran ^a   Yang, Lizi ^a   Wang, Qiang ^a  

^a LANZHOU UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALLENES; B3LYP/6-31G; C-C BONDS; CYCLOPROPENES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT STUDY; ELECTRONIC EFFECTS; INTEGRAL EQUATION FORMALISMS; LEWIS ACIDIC; POLARIZABLE CONTINUUM MODEL; SILYL GROUP; SILYL SUBSTITUENTS; SINGLE-POINT CALCULATIONS; SOLVATION MODELS; SOLVENT EFFECTS;

CATALYSIS; CHEMICAL BONDS; CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; HYDROCARBONS; PLATINUM; PROPYLENE;

DICHLOROMETHANE;

EID: 84861490489     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om300240n     Document Type: Article

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