Publication: A phytochemical-containing metal-organic framework: synthesis, characterization and molecular simulations for hydrogen adsorption
Program
KU-Authors
KU Authors
Co-Authors
Demir, Selcuk
Cepni, H. Merve
Topcu, Yildiray
Holynska, Malgorzata
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Embargo Status
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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
Book Series Title
Edition
DOI
10.1016/j.ica.2014.12.010