Understanding selectivities in ligand-free oxidative cyclizations of 1,5- and 1,6-dienes with RuO4 from density functional theory

Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences

Volumn 65, Issue 3, 2010, Pages 367-375

  Di Dio, Philipp J ^a   Zahn, Stefan ^a   Stark, Christian B W ^a   Kirchner, Barbara ^a  

^a UNIVERSITY OF LEIPZIG   (Germany)

Author keywords

Cycloaddition; DFT; Oxidative cyclization

Indexed keywords

CYCLIZATION; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; ENERGY GAP; ETHYLENE; ISOMERS; MOLECULES; QUANTUM CHEMISTRY; STEREOCHEMISTRY;

1 ,5-HEXADIENE; OXIDATIVE CYCLIZATION; QUANTUM CHEMICAL CALCULATIONS; REACTION PATHWAYS; TETRA-HYDROFURAN; TETRAHYDROPYRAN; TRANSITION STRUCTURES; [3+2]-CYCLOADDITION;

RUTHENIUM COMPOUNDS;

EID: 77953824738     PISSN: 09320776     EISSN: None     Source Type: Journal    
DOI: 10.1515/znb-2010-0321     Document Type: Article

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