Facile formation of azines from reactions of singlet methylene and dimethylcarbene with precursor diazirines: Theoretical explorations

Canadian Journal of Chemistry

Volumn 77, Issue 5-6, 1999, Pages 540-549

  Shustov, Gennady V ^a   Liu, Michael T H ^b   Houk, K N ^c  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY OF PRINCE EDWARD ISLAND   (Canada)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Ab initio MO (molecular orbital) theory; CIS (singles configuration interaction) transition energies; Density functional theory; Diazirinium ylide; Pyridinium ylide

Indexed keywords

AZIRINE DERIVATIVE; CARBENE; PYRIDINIUM DERIVATIVE;

ARTICLE; CHEMICAL REACTION; COMPLEX FORMATION; ENTHALPY; ISOMER; MOLECULAR DYNAMICS; SYNTHESIS;

CHEMICAL ACTIVATION; ISOMERS; MOLECULAR ORBITALS;

AB INITIO MOLECULAR ORBITAL THEORY; ACTIVATION BARRIERS; CIS (SINGLE CONFIGURATION INTERACTION) TRANSITION ENERGY; DENSITY-FUNCTIONAL-THEORY; DIAZIRINES; DIAZIRINIA YLIDE; PYRIDINIA YLIDE; PYRIDINIUM; SINGLE CONFIGURATION INTERACTIONS; TRANSITION ENERGY;

DENSITY FUNCTIONAL THEORY;

EID: 0033306222     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v99-012     Document Type: Article

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