Formation of macrocyclic polymers by intramolecular coupling of alpha,omega-difunctional precursors. Numerical evaluations

The end-to-end cyclization reaction of living monodisperse alpha,omega-dianion precursors with difunctional electrophiles (EX(2)) in the presence of partial anion termination is described. A computer simulation was developed to establish the relationship among the initial concentration, the molecular weight of the dianion precursor, the extent of anion termination, and the yield distribution for all of the cyclic and linear polymer species. A master curve is calculated allowing the determination of the macrocycle yield as a function of MW and concentration of the dianion precursor, and degree of anion termination.