What is it about?

This account highlight the synthesis of a new type of sulfonated polyimide (SPI) from a one-step polycondensation reaction with Perylene-3,4,9,10-tetracarboxylic dianhydride and 4,4′-diamino-2,2′-stilbenedisulfonic acid. It is also emphasized that the SPI film is prepared by a thermal imidization step heating procedure. Pure characterizations and solubility tests of sulfonated polyimide are presented. In addition, quantum chemical calculations of the synthesized SPI were investigated with DFT, TD-DFT, and QTAIM.

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Why is it important?

In cases where water molecules are added to the optimized (B3LYP/6-311G(d,p)) structure of a structural unit of sulfonated poly(imide) containing PTCDA, hydration was observed and as a result of hydration, an unusual (blue) cage critical point formed. (The image that emerged during hydration was theoretically obtained from the AIMAII program.) Moreover, with the increase in water molecules, the average electronic energy density value decreased according to the theoretical results. The SPI can be used as a potential membrane in fuel cells.

Perspectives

A new type of SPI containing sulfonic acid group was synthesized from condensation reaction with PTCDA, the aim was to obtain a low-cost polymeric material. This material had a high performance for the fuel cell. On the other hand, the thermal imidization step heating procedure prepared the SPI film. The boundary orbital energies, electronic properties, MEP analysis, NLO properties, and hydration status of the polyimide molecule were determined as theoretical. All these examinations and analyzes show that the synthesized material can be practic.

Miss. Aslihan Aycan Tanriverdi
Kafkas Universitesi

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This page is a summary of: A novel sulfonated aromatic polyimide synthesis and characterization: Energy calculations, QTAIM simulation study of the hydrated structure of one unit, Bulletin of the Korean Chemical Society, April 2022, Wiley, DOI: 10.1002/bkcs.12521.
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