High-Pressure Synthesis of Highly Conjugated Polymers via Synergistic Polymerization of Phenylpropiolic Acid AITranslate

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DOI：https://doi.org/10.1021/acsapm.2c00728

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The synergistic reaction between alkyne and phenyl groups is a promising pathway for decreasing the reaction pressures of aromatics and enabling scalable high-pressure synthesis of carbon materials via pressure-induced polymerization (PIP). Here by combining theoretical calculations and experimental data, we demonstrate that a simultaneous polymerization of alkynyl and phenyl groups occurred in phenylpropiolic acid (PPA) with the threshold distance dC···C = 3.3 Å, generating an extended structure consisting of sp2 and sp3 carbons. The reaction pressure of phenyl was significantly decreased to ∼5 GPa, which can be applied for large-scale synthesis. The product has a large π-electron conjugated system, resulting in a band gap energy reduced to 1.65 eV and an electrical conductivity increasing to 1.24 × 10–6 S · cm–1. Our research confirmed that conjugated polymers can be synthesized at lower pressures via the high-pressure synergistic reaction route of phenylethynyl compounds and can be used to further realize applications in organic photovoltaic devices.