ISSN:
1432-2234
Keywords:
Sulphilimines
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The topomerization (bond rotation andS-pyramidal inversion) of a simple sulphilimine model, H2SNH has been studied with the aid ofab initio SCF MO calculations. The highest rotation barrier occurs when the H2SN moiety is planar, 〈 HSN = 120 °. The maxima of the inversion crossections occur at the planar conformation for all rotation angles α as expected, however, the minima belong to different values when α is varied. The minimum energy path between the two lowest minima of the conformational energy surface consists of a pure inversion section and a section which is mostly rotation. The optimum values of the 〈 HSN bond angles are significantly smaller than the corresponding 〈 RSN bond angles of sulphilimines of bulkierR substituents.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00581468
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