Density Gradation of Open Metal Sites in the Mesospace of Porous Coordination Polymers

The prevalence of the condensed phase, interpenetration, and fragility of mesoporous coordination polymers (meso-PCPs) featuring dense open metal sites (OMSs) place strict limitations on their preparation, as revealed by experimental and theoretical reticular chemistry investigations. Herein, we pro...

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Veröffentlicht in:Journal of the American Chemical Society 2017-08, Vol.139 (33), p.11576-11583
Hauptverfasser: Duan, Jingui, Higuchi, Masakazu, Zheng, Jiajia, Noro, Shin-ichiro, Chang, I-Ya, Hyeon-Deuk, Kim, Mathew, Simon, Kusaka, Shinpei, Sivaniah, Easan, Matsuda, Ryotaro, Sakaki, Shigeyoshi, Kitagawa, Susumu
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Sprache:eng
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Zusammenfassung:The prevalence of the condensed phase, interpenetration, and fragility of mesoporous coordination polymers (meso-PCPs) featuring dense open metal sites (OMSs) place strict limitations on their preparation, as revealed by experimental and theoretical reticular chemistry investigations. Herein, we propose a rational design of stabilized high-porosity meso-PCPs, employing a low-symmetry ligand in combination with the shortest linker, formic acid. The resulting dimeric clusters (PCP-31 and PCP-32) exhibit high surface areas, ultrahigh porosities, and high OMS densities (3.76 and 3.29 mmol g–1, respectively), enabling highly selective and effective separation of C2H2 from C2H2/CO2 mixtures at 298 K, as verified by binding energy (BE) and electrostatic potentials (ESP) calculations.
ISSN:0002-7863
1520-5126
DOI:10.1021/jacs.7b05702