Nucleophilic Displacement at Sulfur Center (). EHT Calculations on Sulfonyl Chlorides

[摘要] The extended Huckel calculations have been conducted on sulfonyl chlorides RSO2Cl, where R = C6H5-, CH3-, OCH3-and (CH3)2N-. Results are discussed using ground state electronic structures. SN reactivity has been discussed using calculated reactivity indices. Particularly, which the substitution of chlorine is take placed or not on ROSO2Cl in which is suggested by Buncel et al., is discussed by means of some basis on the MO theoretical ground.

[学科分类] 化学（综合）