Thermodynamic and kinetic models for acid chloride formation: A computational and theoretical mechanistic study
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The structural evolution pathways leading to the conversion of some α-chlorinated carboxylic acids (ClnH3-nCCOOH, n = 0, 1, 2, 3) to their respective acid chlorides by thionyl chloride are investigated via density functional theoretical (DFT) modelling. For a... ...
