Theoretical and experimental approaches to the effects of solvation of the small internal rotational potential of benzal fluoride

Canadian Journal of Chemistry

Volumn 74, Issue 9, 1996, Pages 1626-1637

  Schaefer, Ted ^a   Bernard, Guy M ^a   Bekkali, Younes ^a   McKinnon, David M ^a  

^a UNIVERSITY OF MANITOBA   (Canada)

Author keywords

Molecular orbital computations, structure, internal rotational potential; NMR spectroscopy, of benzal fluoride; Solvent effects, on internal rotational potential in benzal fluoride; Spin spin coupling constants, long range in benzal fluoride

Indexed keywords

ACETONE; CALCULATIONS; CHEMICAL BONDS; ELECTROSTATICS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PARAFFINS; PERTURBATION TECHNIQUES; SOLUTIONS; SOLVENTS;

BENZAL FLUORIDE; CYCLOHEXANE; INTERNAL ROTATIONAL POTENTIAL; LONG RANGE SPIN SPIN COUPLING CONSTANTS; MOLECULAR ORBITAL THEORY; ONSAGER MODEL; SELF CONSISTENT ISODENSITY POLARIZABLE CONTINUUM MODEL; SOLVATION;

AROMATIC HYDROCARBONS;

EID: 0030231241     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v96-180     Document Type: Article

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