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Theoretical design of durable and strong polycarbonates against photodegradation.

Xiao HuangYuuichi OrimotoYuriko Aoki
Published in: Physical chemistry chemical physics : PCCP (2023)
The photodegradation mechanism of polycarbonate (PC) was investigated by quantum chemistry, and a novel antidegradation molecular design using substituents was proposed. It was demonstrated that electron-withdrawing substituents in the phenyl moiety controlled bond alternation, leading to inhibition of the O-C bond cleavage in the carbonate moiety. These results provide a promising alternative for durable PC synthesis.
Keyphrases
  • molecular dynamics
  • visible light
  • atomic force microscopy
  • transition metal
  • drug discovery
  • mass spectrometry
  • high resolution
  • quantum dots