Fig. 5: De and Repolymerisation. | Nature Communications

Fig. 5: De and Repolymerisation.

From: Precise cooperative sulfur placement leads to semi-crystallinity and selective depolymerisability in CS2/oxetane copolymers

Fig. 5

Relative energies on the B3LYP/cc-pVDZ level of theory of cyclic versus polymer formation for the (a1) all-oxygen CO2/OXMe and (a2) the sulfurated CS2/OXMe cases as well as experimentally determined (de)polymerisation equilibria states under specified conditions; all-oxygen carbonate data displayed in reference to Endo et al.63. *note that PT as employed in the depolymerisation errors contains 8% OSO-alt-SSS errors; >99% depolymerisation products comprise of ca. 95% CT and 5% unidentified by-products. b ROCOP into depolymerisation into ROP sequence. ROCOP conditions as per Table 3 run #1; depolymerisation conditions as per (a); ROP conditions 1 eq. 1,5,7-triazabicyclo[4.4.0]dec-5-en (TBD): 1 BnOH: 100 eq. CT, 4 M in DCM, 20 °C, 16 h, 45% conversion, obtained polymer P’T: Mn = 4.50 kDa, Đ = 1.22, Mn,theo = 7.29 kDa. c Overlaid 1H NMR spectra (400 MHz, CDCl3, 25 °C) of PT* produced by CS2/OXMe ROCOP, CT produced by depolymerisation and P’T produced by CT ROP.

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