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

Demir S. , Cepni H. M. , TOPCU Y., Holynska M., Keskin S.

INORGANICA CHIMICA ACTA, cilt.427, ss.138-143, 2015 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 427
  • Basım Tarihi: 2015
  • Doi Numarası: 10.1016/j.ica.2014.12.010
  • Sayfa Sayıları: ss.138-143


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.