Semiconductive microporous hydrogen-bonded organophosphonic acid frameworks

Patrik Tholen, Craig A. Peeples, Raoul Schaper, Ceyda Bayraktar, Turan Selman Erkal, Mehmet Menaf Ayhan, Bünyemin Çoşut, Jens Beckmann, A. Ozgur Yazaydin, Michael Wark, Gabriel Hanna, Yunus Zorlu () and Gündoğ Yücesan ()
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Patrik Tholen: Technische Universität Berlin
Craig A. Peeples: University of Alberta
Raoul Schaper: Carl von Ossietzky Universität Oldenburg
Ceyda Bayraktar: Kimya Bölümü
Turan Selman Erkal: University College London
Mehmet Menaf Ayhan: Kimya Bölümü
Bünyemin Çoşut: Kimya Bölümü
Jens Beckmann: Universität Bremen
A. Ozgur Yazaydin: University College London
Michael Wark: Carl von Ossietzky Universität Oldenburg
Gabriel Hanna: University of Alberta
Yunus Zorlu: Kimya Bölümü
Gündoğ Yücesan: Technische Universität Berlin

Nature Communications, 2020, vol. 11, issue 1, 1-7

Abstract: Abstract Herein, we report a semiconductive, proton-conductive, microporous hydrogen-bonded organic framework (HOF) derived from phenylphosphonic acid and 5,10,15,20‐tetrakis[p‐phenylphosphonic acid] porphyrin (GTUB5). The structure of GTUB5 was characterized using single crystal X-ray diffraction. A narrow band gap of 1.56 eV was extracted from a UV-Vis spectrum of pure GTUB5 crystals, in excellent agreement with the 1.65 eV band gap obtained from DFT calculations. The same band gap was also measured for GTUB5 in DMSO. The proton conductivity of GTUB5 was measured to be 3.00 × 10−6 S cm−1 at 75 °C and 75% relative humidity. The surface area was estimated to be 422 m2 g−1 from grand canonical Monte Carlo simulations. XRD showed that GTUB5 is thermally stable under relative humidities of up to 90% at 90 °C. These findings pave the way for a new family of organic, microporous, and semiconducting materials with high surface areas and high thermal stabilities.

Date: 2020
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DOI: 10.1038/s41467-020-16977-0

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