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Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment

Abstract

Pore size and framework flexibility of hosts are of vital importance for molecular recognitions and related applications, but accurate control of these parameters is very challenging. We use the slight difference of metal ion size to achieve continuous hundredth-nanometer pore-size adjustments and drastic flexibility modulations for an ultramicroporous metal-organic framework, giving controllable N2 adsorption isotherm steps, unprecedented/reversed loading-dependence of H2 adsorption enthalpy, quadrupole-moment sieving of C2H2/CO2, and exceptionally high working capacity for C2H2 storage at the practical condition (98 times that of an empty cylinder). In-situ single-crystal X-ray diffraction measurements and multilevel computational simulations revealed the importance of pore-surface pockets, which utilize their size and electrostatic potential to smartly recognize molecular sizes and quadruple moments of gas molecules to control their accessibility to the strongest adsorption sites.

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Publication details

The article was received on 13 Jul 2017, accepted on 09 Sep 2017 and first published on 11 Sep 2017


Article type: Edge Article
DOI: 10.1039/C7SC03067C
Citation: Chem. Sci., 2017, Accepted Manuscript
  • Open access: Creative Commons BY license
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    Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment

    C. He, Z. Ye, Y. Xu, D. Zhou, H. Zhou, D. Chen, J. Zhang and X. Chen, Chem. Sci., 2017, Accepted Manuscript , DOI: 10.1039/C7SC03067C

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