Theoretical design of durable and strong polycarbonates against photodegradation

Literature Information

Publication Date 2023-11-30
DOI 10.1039/D3CP03533F
Impact Factor 3.676
Authors

Xiao Huang, Yuuichi Orimoto, Yuriko Aoki


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Abstract

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.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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