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Structure and Gas Barrier Properties of Polyimide Containing a Rigid Planar Fluorene Moiety and an Amide Group: Insights from Molecular Simulations.

ABSTRACT: A novel diamine (FAPDA) bearing rigid planar fluorene and amide groups was successfully synthesized. Using such diamine and pyromellitic dianhydride (PMDA), a high-barrier polyimide (FAPPI) was obtained. FAPPI exhibits an outstanding gas barrier. Its water vapor transmission rate (WVTR) and oxygen transmission rate (OTR) are as low as 0.51 g·m^-2·day^-1 and 0.43 cm³·m^-2·day^-1, respectively. Additionally, FAPPI shows excellent thermal stability with a coefficient of thermal expansion (CTE) of 5.8 ppm·K^-1 and a glass transition temperature (T _g) of 416 °C. Molecular simulations, positron annihilation, and X-ray diffraction were utilized to gain insight on the microstructures for the enhanced barrier properties. Introducing fluorene moieties and amide groups improves the regularity and rigidity of molecular chains and increases interchain interaction of PI, resulting in low free volumes and decreased movement capacity of the chain. The low free volumes of FAPPI restrain the gas diffusivity and solubility. Meanwhile, the decreased chain movement reduces the diffusivity of gases. Consequently, barrier performances of FAPPI are improved. The polyimide possesses widespread application in the microelectronics packaging fields.

SUBMITTER: Liu Y

PROVIDER: S-EPMC7906589 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature

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Structure and Gas Barrier Properties of Polyimide Containing a Rigid Planar Fluorene Moiety and an Amide Group: Insights from Molecular Simulations.

Liu Yiwu Y Tang Ao A Tan Jinghua J Chen Chengliang C Wu Ding D Zhang Hailiang H

ACS omega 20210204 6

A novel diamine (FAPDA) bearing rigid planar fluorene and amide groups was successfully synthesized. Using such diamine and pyromellitic dianhydride (PMDA), a high-barrier polyimide (FAPPI) was obtained. FAPPI exhibits an outstanding gas barrier. Its water vapor transmission rate (WVTR) and oxygen transmission rate (OTR) are as low as 0.51 g·m-2·day-1 and 0.43 cm3·m-2·day-1, respectively. Additionally, FAPPI shows excellent thermal stability ...[more]

PMID: 33644548

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Project description:BackgroundPlant fungi (e.g., Pellicularia sasakii, Gibberella zeae, Fusarium oxysporum, and Cytospora mandshurica and Phytophthora infestans) and bacteria (e.g., Ralstonia solanacearum) are extremely difficult to manage in agricultural production. The high incidence of plant mortality and the lack of effective control methods make P. sasakii and R. solanacearum two of the world's most destructive plant pathogens. Pathogenic fungi and bacteria are responsible for billions of dollars in economic losses worldwide each year. Thus, we designed an active amide structure and synthesized a series of novel amide derivatives containing a triazole moiety to discover new bioactive molecules and pesticides that can act against fungi and bacteria.ResultsA series of amide derivatives containing a triazole moiety were synthesized. All the obtained compounds were characterized through proton and carbon nuclear magnetic resonance spectroscopy, infrared spectroscopy, and elemental analysis. Preliminary antifungal activity test showed that some of the synthesized compounds exhibited moderate antifungal activity against P. sasakii, G. azeae, F. oxysporum, C. mandshurica, and P. infestans at 50 mg/L. Compound 4u displayed more potent antifungal activity against P. sasakii and G. azeae than hymexazol. Preliminary antibacterial activity results showed that some of the synthesized compounds exhibited high anti-bacterial activity against R. solanacearum at 200 mg/L. Compounds 4m and 4q displayed high antibacterial activity against R. solanacearum, with 71% and 65% inhibitory rates, respectively.ConclusionsA series of novel amide derivatives containing 1,2,4-triazole moiety were synthesized through the reaction of intermediate 3 with different acyl chlorides and anhydrous potassium carbonates in anhydrous tetrahydrofuran at 50°C, using 2,4-dichloroacetophenoneas as a starting material. The title compounds exhibited high inhibitory effects against P. sasakii, R. solanacearum, and G. azeae.

Dataset Information

Structure and Gas Barrier Properties of Polyimide Containing a Rigid Planar Fluorene Moiety and an Amide Group: Insights from Molecular Simulations.

Publications

Structure and Gas Barrier Properties of Polyimide Containing a Rigid Planar Fluorene Moiety and an Amide Group: Insights from Molecular Simulations.

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