| dc.contributor.author | Demir, Selçuk | |
| dc.contributor.author | Çepni, H. Merve | |
| dc.contributor.author | Topçu, Yıldıray | |
| dc.contributor.author | Holynska, Malgorzata | |
| dc.contributor.author | Keskin, Seda | |
| dc.date.accessioned | 2020-12-19T19:57:44Z | |
| dc.date.available | 2020-12-19T19:57:44Z | |
| dc.date.issued | 2015 | |
| dc.identifier.citation | 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 | en_US |
| dc.identifier.issn | 0020-1693 | |
| dc.identifier.issn | 1873-3255 | |
| dc.identifier.uri | https://doi.org/10.1016/j.ica.2014.12.010 | |
| dc.identifier.uri | https://hdl.handle.net/11436/2882 | |
| dc.description | keskin, seda/0000-0001-5968-0336; Demir, Selcuk/0000-0002-5719-7145; TOPCU, YILDIRAY/0000-0002-2095-6603; TOPCU, YILDIRAY/0000-0002-2095-6603 | en_US |
| dc.description | WOS: 000349462500018 | en_US |
| dc.description.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. | en_US |
| dc.description.sponsorship | OMV Gaz ve Enerji Limited Sirketi - Turkey; Ondokuz Mayis University - TurkeyOndokuz Mayis University [PYO.MUH.1905.11.002] | en_US |
| dc.description.sponsorship | This work was financially supported by OMV Gaz ve Enerji Limited Sirketi - Turkey and Ondokuz Mayis University - Turkey (PYO.MUH.1905.11.002). Prof. Dr. Stefanie Dehnen (generous support and helpful discussions) and Mr. Michael Marsch (help with X-ray diffraction studies) are gratefully acknowledged. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | Elsevier Science Sa | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Ferulic acid | en_US |
| dc.subject | Metal-organic framework | en_US |
| dc.subject | Hydrogen storage | en_US |
| dc.subject | Phytochemical | en_US |
| dc.subject | Molecular simulations | en_US |
| dc.title | A phytochemical-containing metal-organic framework: Synthesis, characterization and molecular simulations for hydrogen adsorption | en_US |
| dc.type | article | en_US |
| dc.contributor.department | RTEÜ, Fen - Edebiyat Fakültesi, Kimya Bölümü | en_US |
| dc.contributor.institutionauthor | Demir, Selçuk | |
| dc.contributor.institutionauthor | Çepni, H. Merve | |
| dc.identifier.doi | 10.1016/j.ica.2014.12.010 | |
| dc.identifier.volume | 427 | en_US |
| dc.identifier.startpage | 138 | en_US |
| dc.identifier.endpage | 143 | en_US |
| dc.relation.journal | Inorganica Chimica Acta | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
