Effects of various leaving groups on chain growth condensation mechanism by computational methods

Natalie Losada, Brian Etz & Shubham Vyas
Optimizing polymer mechanisms is a popular area of study and one such mechanism that is still not fully understood is the chain growth condensation. A systematic study of the behavior of different leaving groups on an ester-based monomer was performed for the chain-growth condensation of N-octyl benzamide. Quantum mechanical calculations were performed to determine the energies and charges of each step of the reaction for each of the leaving groups, ranging from extremely electron withdrawing...
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