Nucleophilic Substitution at a Carbonyl Carbon Atom (). EHT Calculations on Phenyl Chloroformate

[摘要] EHT calculation have been carried out on phenyl chloro-thiol, phenyl chloro-thiono and phenyl dithioformates to explain the conformations and reactivity of the compounds. Results of calculation lead us to conclude that the mechanism of SN reaction of these compounds are likely to be the SN2 type and trans form is more stable than cis form for all molecules.

[学科分类] 化学（综合）