Mechanistic Insights into the Effects of Ureas and Monomers on the Ring-Opening Alternating Copolymerization of Epoxides and Anhydrides Catalyzed by Organic Base/Urea.

ABSTRACT: Aliphatic polyester is an important polyester material with good biocompatibility and degradability, which can be synthesized through ring-opening alternating copolymerization (ROAC) of epoxides and anhydrides. Herein, density functional theory (DFT) is used to explore the mechanism of ROAC of epoxides (propylene oxide (PO), styrene oxide (SO), epichlorohydrin (ECH), and cyclohexane oxide (CHO)) and phthalic anhydride (PA) catalyzed by bis(triphenylphosphine) ammonium chloride (PPNCl) and ureas. It was found that the ring-opening polymerization (ROP) of epoxides is the rate-controlling step, and the benzyl alcohol (BnOH) as the initiator has little effect on the polymerization activity, which was consistent with previous experimental results. Calculated comparisons of the ROAC activity of

SUBMITTER: Jiang L 

PROVIDER: S-EPMC11013678 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature