Elucidating the role of non-covalent interactions in unexpectedly high and selective CO2uptake and catalytic conversion of porphyrin-based ionic organic polymers

Kostakoglu Sinem Tuncel; Chumakov Yurii; Zorlu Yunus; Sadak Ali Enis; Denizalti Serpil; Gürek Ayşe Gül; Ayhan Mehmet Menaf

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2023-02-24 11:30

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KOSTAKOGLU, Sinem Tuncel, CHUMAKOV, Yurii, ZORLU, Yunus, SADAK, Ali Enis, DENIZALTI, Serpil, GÜREK, Ayşe Gül, AYHAN, Mehmet Menaf. Elucidating the role of non-covalent interactions in unexpectedly high and selective CO2uptake and catalytic conversion of porphyrin-based ionic organic polymers. In: Materials Advances, 2021, nr. 2(11), pp. 3685-3694. ISSN 2633-5409. DOI: https://doi.org/10.1039/d1ma00217a

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Materials Advances

Numărul 2(11) / 2021 / ISSN 2633-5409 /ISSNe 2633-5409

Elucidating the role of non-covalent interactions in unexpectedly high and selective CO₂uptake and catalytic conversion of porphyrin-based ionic organic polymers

DOI:https://doi.org/10.1039/d1ma00217a

Pag. 3685-3694

Kostakoglu Sinem Tuncel¹, Chumakov Yurii¹², Zorlu Yunus¹, Sadak Ali Enis³, Denizalti Serpil⁴, Gürek Ayşe Gül¹, Ayhan Mehmet Menaf¹

¹ Gebze Technical University,
² Institute of Applied Physics,
³ National Metrology Institute (TUBITAKUME), Kocaeli,
⁴ Ege University Izmir

Disponibil în IBN: 28 iunie 2021

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Here, we present viologen-porphyrin based ionic covalent organic polymers (H2-ICOP and Zn-ICOP) with multiple CO2-philic sites. The specific surface areas of H2-ICOP and Zn-ICOP were found to be 9 m2 g-1 and 20 m2 g-1, respectively. CO2 uptake analyses reveal that H2-ICOP exhibits very high CO2 capture uptake (62.9 mg g-1), which is one of the highest values among previously reported ICOPs. The results indicate very efficient non-covalent interactions between H2-ICOP and CO2. The possible non-covalent interactions of hydrogen (OCO2⋯H-N), tetrel (CCO2⋯N, CCO2⋯Cl-), pnicogen (OCO2⋯N+), and spodium bonds (OCO2⋯Zn) between CO2 and H2-ICOP and Zn-ICOP are investigated via symmetry adapted perturbation theory (SAPT) analysis and electrostatic potential maps (MEP). The strength of non-covalent interactions in H2-ICOP and Zn-ICOP is decreasing in the following order ΔEC⋯N > ΔEC⋯Cl- > ΔEO⋯N+ and ΔEZn⋯O > ΔEC⋯Cl- > ΔEC⋯N > ΔEO⋯N+, respectively. The major CO2 uptake contribution comes from CCO2⋯N tetrel bonding (-22.02 kJ mol-1) interactions for H2-ICOP, whereas OCO2⋯Zn spodium bonding (-21.065 kJ mol-1) interactions for Zn-ICOP. H2-ICOP has more CO2-philic moieties with powerful non-covalent interactions compared to Zn-ICOP, which is in good agreement with the experimental results. Furthermore, the CO2 catalytic conversion performances of Zn-ICOP and H2-ICOP gave good yields of 83% and 54%, respectively. Surprisingly, Zn-ICOP, despite having significantly lower CO2 uptake capacity, displayed better catalytic activity than H2-ICOP, owing to a higher number of counter anions (Cl-) on its surface, which shows the crucial role of the counter anion (Cl-) in the mechanism of this catalytic reaction.

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<cfAbstr cfLangCode='EN' cfTrans='o'><p>Here, we present viologen-porphyrin based ionic covalent organic polymers (H2-ICOP and Zn-ICOP) with multiple CO2-philic sites. The specific surface areas of H2-ICOP and Zn-ICOP were found to be 9 m2 g-1 and 20 m2 g-1, respectively. CO2 uptake analyses reveal that H2-ICOP exhibits very high CO2 capture uptake (62.9 mg g-1), which is one of the highest values among previously reported ICOPs. The results indicate very efficient non-covalent interactions between H2-ICOP and CO2. The possible non-covalent interactions of hydrogen (OCO2⋯H-N), tetrel (CCO2⋯N, CCO2⋯Cl-), pnicogen (OCO2⋯N+), and spodium bonds (OCO2⋯Zn) between CO2 and H2-ICOP and Zn-ICOP are investigated via symmetry adapted perturbation theory (SAPT) analysis and electrostatic potential maps (MEP). The strength of non-covalent interactions in H2-ICOP and Zn-ICOP is decreasing in the following order &Delta;EC⋯N &gt; &Delta;EC⋯Cl- &gt; &Delta;EO⋯N+ and &Delta;EZn⋯O &gt; &Delta;EC⋯Cl- &gt; &Delta;EC⋯N &gt; &Delta;EO⋯N+, respectively. The major CO2 uptake contribution comes from CCO2⋯N tetrel bonding (-22.02 kJ mol-1) interactions for H2-ICOP, whereas OCO2⋯Zn spodium bonding (-21.065 kJ mol-1) interactions for Zn-ICOP. H2-ICOP has more CO2-philic moieties with powerful non-covalent interactions compared to Zn-ICOP, which is in good agreement with the experimental results. Furthermore, the CO2 catalytic conversion performances of Zn-ICOP and H2-ICOP gave good yields of 83% and 54%, respectively. Surprisingly, Zn-ICOP, despite having significantly lower CO2 uptake capacity, displayed better catalytic activity than H2-ICOP, owing to a higher number of counter anions (Cl-) on its surface, which shows the crucial role of the counter anion (Cl-) in the mechanism of this catalytic reaction.</p></cfAbstr>
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