Stabilization in neutral bicyclic sulfoxide compounds
نویسندگان
چکیده
منابع مشابه
Stabilization in neutral bicyclic sulfoxide compounds
Density Functional Theory (DFT) calculations at the B3LYP/6-31+G∗ level have been performed on 5-thiabicyclo[2.1.1]hex-2-ene S-oxide derivatives. The geometrical and electronic properties of the compounds have been analyzed in order to explain the favored stability of the exo configuration. Isodesmic reactions at the Gaussian-G2 theory yielded the exo conformer as the most stable one. Moreover,...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2000
ISSN: 0192-8651,1096-987X
DOI: 10.1002/(sici)1096-987x(200003)21:4<322::aid-jcc7>3.0.co;2-f