Among polymerization reactions, the chosen metal catalyst changes depending on the type of reaction. Experimental work has ranked the effectiveness of various metals in organometallic catalysts according to these types and proposed mechanisms that attempt to explain these findings. Tin has been shown to excel in transesterification reactions, while its performance is lacking in the case of esterification. Post-transition metals owe their unique nature to the lone pair effect, which distinguishes their utility between reaction types. These mechanisms are speculated and so we used DFT methods to contrast the reaction mechanisms of both esterification and transesterification for TMCD, and either ETPA or DMT. We provide insight into the preferential performance that tin exhibits.<br/>

DFT analysis of organotin catalytic mechanisms in polymeric reactions

2019 Spring National Meeting

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