A DFT-based theoretical investigation of the mechanism of the PtCl 2-mediated cycloisomerization of allenynes

Chemistry - A European Journal

Volumn 11, Issue 2, 2005, Pages 521-533

  Soriano, Elena ^a   Marco Contelles, José ^b  

^a Instituto de investigación Biomédica del Hospital Universitario   (Spain)

^b INSTITUTO DE QUÍMICA ORGÁNICA GENERAL   (Spain)

Author keywords

Cyclization; Density functional calculations; Metallacycles; Reaction mechanisms; Regioselectivity

Indexed keywords

CONFORMATIONS; FREE ENERGY; ISOMERIZATION; PLATINUM COMPOUNDS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; STEREOCHEMISTRY; SUBSTITUTION REACTIONS;

ALDER-ENE REACTION; ALLENYNES; CYCLOISOMERIZATION; CYCLOMETALATION PROCESS;

HYDROCARBONS;

ALKYNE; ALLENE DERIVATIVE; CHELATE; CHLORIDE; METAL; METHYL GROUP; PENTANE; PLATINUM DERIVATIVE;

ARTICLE; CATALYSIS; CHEMICAL BOND; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; CONFORMATION; CYCLOISOMERIZATION; DENSITY FUNCTIONAL THEORY; ENERGY; ISOMERIZATION; OXIDATION; PRECURSOR; REACTION ANALYSIS; STEREOCHEMISTRY;

EID: 12444271011     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400618     Document Type: Article

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