Publication: A phytochemical-containing metal-organic framework: synthesis, characterization and molecular simulations for hydrogen adsorption
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KU-Authors
KU Authors
Co-Authors
Demir, Selcuk
Cepni, H. Merve
Topcu, Yildiray
Holynska, Malgorzata
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Abstract
As a result of involvement of all carboxylato/methoxo/oxo donor oxygen atoms of a phytochemical ferulic acid with zinc ions, a Zn-ferulate metal-organic framework (PhytoMOF-1), {[Zn-2(fer)(2)]}(n) is formed. The structure of PhytoMOF-1 was characterized by single crystal X-ray diffraction studies. PhytoMOF-1 contains channels with a considerable diameter of 15.1(1) x 17.2(1) angstrom. The total void volume of PhytoMOF-1 is similar to 3517 angstrom(3). N-2 adsorption/desorption analyses indicate that the PhytoMOF-1 is porous. Molecular simulations show that PhytoMOF-1 might store hydrogen. The luminescent properties of PhytoMOF-1 are quenched upon the adsorption of toluene and nitrobenzene.
Source
Publisher
Elsevier Science Sa
Subject
Chemistry, inorganic, Nuclear
Citation
Has Part
Source
Inorganica Chimica Acta
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DOI
10.1016/j.ica.2014.12.010
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