Comparative theoretical study of [3+2] and [2+2] cycloadditions of ethylene and WXYMe2; X, Y = ({double bond, long}O), ({double bond, long}NH), ({double bond, long}CH2)

Journal of Organometallic Chemistry

Volumn 694, Issue 25, 2009, Pages 4090-4093

  Haunschild, Robin ^a   Frenking, Gernot ^b  

^a RICE UNIVERSITY   (United States)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Cycloadditions; DFT calculations; Metal oxo amido carbene complexes; Reaction mechanism

Indexed keywords

CYCLOADDITIONS; DFT CALCULATIONS; DOUBLE BONDS; QUANTUM CHEMICAL CALCULATIONS; REACTION MECHANISM; THEORETICAL STUDY; TUNGSTEN COMPLEX;

CHEMICAL BONDS; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; ETHYLENE; IRIDIUM; MANGANESE COMPOUNDS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; RHODIUM; RUTHENIUM COMPOUNDS; SULFUR COMPOUNDS; TUNGSTEN;

TUNGSTEN COMPOUNDS;

EID: 70350100317     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2009.08.022     Document Type: Article

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