A phytochemical-containing metal-organic framework: Synthesis, characterization and molecular simulations for hydrogen adsorption

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Date

2015

Author

Demir, Selçuk
Çepni, H. Merve
Topçu, Yıldıray
Holynska, Malgorzata
Keskin, Seda

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Demir, S., Cepni, H.M., Topcu, Y., Holynska, M., Keskin, S. (2015). A phytochemical-containing metal-organic framework: Synthesis, characterization and molecular simulations for hydrogen adsorption. Inorganica Chimica Acta, 427, 138-143. https://doi.org/10.1016/j.ica.2014.12.010

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. (C) 2014 Elsevier B.V. All rights reserved.

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Inorganica Chimica Acta

Volume

427

URI

https://doi.org/10.1016/j.ica.2014.12.010
https://hdl.handle.net/11436/2882

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