Computational study of the chair-chair interconversion and stereoelectronic interactions in 1,2,3-trithiacyclohexane (1,2,3-trithiane)

Journal of Physical Organic Chemistry

Volumn 17, Issue 1, 2004, Pages 32-41

  Freeman, Fillmore ^a   Cha, Chansa ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Conformational interconversion; Cyclic polysulfide (polysulfane); Intrinsic reaction coordinate (IRC) calculation; Stereoelectronic hyperconjugative interaction; Trithiane

Indexed keywords

AGGLOMERATION; ANTIBIOTICS; CHEMICAL BONDS; CONFORMATIONS; ENTHALPY; ENTROPY; FERMENTATION; FREE ENERGY; FUNGI; PERTURBATION TECHNIQUES;

CHAIR CONFORMERS; CONFORMATIONAL INTERCONVERSION; CYCLIC POLYSULFIDE; DENSITY FUNCTIONAL THEORY (DFT); INTRINSIC REACTION COORDINATE (IRC); STEREOELECTRONIC HYPERCONJUGATIVE INTERACTIONS; STEREOELECTRONIC INTERACTIONS;

AROMATIC COMPOUNDS;

EID: 0347316470     PISSN: 08943230     EISSN: None     Source Type: Journal    
DOI: 10.1002/poc.678     Document Type: Article

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