MO Studies of Configurations and Conformations (￥?). Molecular Structure of Sulfamoyl Chlorides

摘要

Semi-empirical MO calculations were performed to investigate stereochemical properties of sulfamoyl chlorides; R2NS02Cl Where R = H or CH3. It was found that for all the molecules considered the most preferred conformation was the form in which nN-ヲ*SCl 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., CH2NHSO2Cl, the stability was also dependent upon nonbonded interactions between the eclipsing groups.