Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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MO Studies of Configurations and Conformations (IX). Molecular Structure of Sulfamoyl Chlorides

  • Ik-choon Lee (Department of Chemistry, Inha University) ;
  • Byung-Choon Lee (Department of Science Education, Choongbuk National University)
  • Published : 1980.06.30
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Abstract

Semi-empirical MO calculations were performed to investigate stereochemical properties of sulfamoyl chlorides; $R_2NSO_2Cl$ Where R = H or $CH_3$. It was found that for all the molecules considered the most preferred conformation was the form in which $n_N-{\sigma}^*_{SIC}$ conjugative interaction is a maximum and the least favored conformation was the form in which steric repulsion is large due to eclipsing of Cl and R. In case of the molecule with no symmetry i.e., $CH_2NHSO_2Cl$, the stability was also dependent upon nonbonded interactions between the eclipsing groups.

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