A three-dimensional silver(I) framework assembled from 3,3 '-thiodipropionate: Synthesis, structure and molecular simulations for hydrogen gas adsorption

ARICI M., YEŞİLEL O. Z., Keskin S., TAŞ M.

POLYHEDRON, vol.45, no.1, pp.103-106, 2012 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 45 Issue: 1
  • Publication Date: 2012
  • Doi Number: 10.1016/j.poly.2012.07.060
  • Journal Name: POLYHEDRON
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.103-106
  • Eskisehir Osmangazi University Affiliated: Yes


A novel three dimensional Ag(I)-3,3'-thiodipropionate metal organic framework, [Ag-2(mu(8)-tdp)](n) (1) (tdpH(2) = 3,3'-thiodipropionic acid), was synthesized and structurally characterized by FT-IR and photoluminescence spectroscopy, single crystal X-ray diffraction techniques and thermal analysis (TG, DTG and DTA). The compound crystallized in the monoclinic crystal system with the space group C2/c. The X-ray crystallographic study of 1 shows a short Ag center dot center dot center dot Ag contact with a distance of 3.022 angstrom. The most striking feature of 1 is that it exhibits a 3D porous framework with 1D infinite channels, and complex 1 exhibits strong fluorescent emission bands in the solid state at room temperature. Moreover, atomically detailed simulations were used to assess the potential of the complex for H-2 storage applications. (C) 2012 Elsevier Ltd. All rights reserved.