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Chem Commun (Camb). 2015 Sep 21;51(73):13918-21. doi: 10.1039/c5cc05779e.

Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: an experimental and theoretical study.

Chemical communications (Cambridge, England)

S A Sapchenko, D N Dybtsev, D G Samsonenko, R V Belosludov, V R Belosludov, Y Kawazoe, M Schröder, V P Fedin

Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 3 Acad. Lavrentiev Ave., Novosibirsk, 630090, Russian Federation. [email protected].

PMID: 26238221 DOI: 10.1039/c5cc05779e

Abstract

The sorption of CO, CO2 and C2H2 by two urotropine-containing porous metal-organic framework materials [Zn4(dmf)(ur)2(ndc)4] (H2ndc = 2,6-naphthalenedicarboxylic acid; ur = urotropine; dmf = dimethylformamide) and [Zn11(H2O)2(ur)4(bpdc)11] (H4bpdc = 4,4'-biphenyldicarboxylic acid) incorporating free N-donors has been investigated. These materials show pronounced affinity for CO2 and C2H2, and these observations are supported by interaction energy and ab initio DFT calculations.

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