The Conformation of 1-Alkyl-2-phenylpropan-1-ols Studied by Ab Initio MO Calculations. Relevance of the CH/π and OH/π Hydrogen Bonds

Bulletin of the Chemical Society of Japan

Volumn 76, Issue 11, 2003, Pages 2167-2173

  Takahashi, Osamu ^a   Saito, Ko ^a   Kohno, Yuji ^b   Suezawa, Hiroko ^c   Ishihara, Shinji ^c   Nishio, Motohiro ^d  

^a HIROSHIMA UNIVERSITY   (Japan)

^b TOHOKU UNIVERSITY   (Japan)

^c YOKOHAMA NATIONAL UNIVERSITY   (Japan)

^d CHPI Institute   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; CONFORMATIONS; HYDROGEN BONDS; ISOMERS; STEREOCHEMISTRY;

MOLECULAR ORBITAL THEORY; ROTAMERS; STERIC EFFECTS;

BENZENE;

2 PHENYLPROPAN 1 OL DERIVATIVE; PHENYL GROUP; PROPANOL; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONFORMATION; DIASTEREOISOMER; ENERGY; HYDROGEN BOND; STEREOCHEMISTRY;

EID: 0344234226     PISSN: 00092673     EISSN: None     Source Type: Journal    
DOI: 10.1246/bcsj.76.2167     Document Type: Article

References (42)

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3. Only the R enantiomer is shown. The stereochemical issue considered in the present study is a relative one and is exactly the same for compounds with the S configuration.
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