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Issue 3, 2012
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Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake

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Abstract

Described are the crystal structures and solid–gas sorption behaviors of azacalix[4]arene tetramethyl ether at low temperatures. Single crystals of the azacalix[4]arene with a seemingly nonporous crystal architecture exhibited highly selective uptake of CO2 among five examined gases such as N2, O2, Ar, CO2, and CH4. Single crystal X-ray crystallographic analysis successfully visualized the CO2 sorption state in which the azacalix[4]arene contacted with CO2 through intermolecular CH/O-interactions. A combination of the experimental results and theoretical calculations on the CO2 sorption state demonstrated that the observed high selectivity for CO2 was mainly controlled by a dispersion force, together with a molecular sieving effect.

Graphical abstract: Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake

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Publication details

The article was received on 01 Sep 2011, accepted on 17 Oct 2011 and first published on 18 Nov 2011


Article type: Paper
DOI: 10.1039/C1CE06126G
CrystEngComm, 2012,14, 1021-1026

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    Crystallographic analysis of CO2 sorption state in seemingly nonporous molecular crystal of azacalix[4]arene tetramethyl ether exhibiting highly selective CO2 uptake

    H. Tsue, H. Takahashi, K. Ishibashi, R. Inoue, S. Shimizu, D. Takahashi and R. Tamura, CrystEngComm, 2012, 14, 1021
    DOI: 10.1039/C1CE06126G

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