Author
Sezer, G. G., Yeşilel, O. Z., Şahin, O., Arslanoğlu, H., Fındıkçı, İlknur Eruçar
Publication Date
2017
Publication Place
-
Elsevier
Subject
Coordination polymers, 1,4-Phenylenediacetate, 1,2-Bis(4-pyridyl)ethane, Microwave-assisted method, Molecular simulation, Methylene blue
Type
Periodical
Language
English
Digital
Yes
Manuscript
No
Library
Özyeğin University
Library Asset ID
0022-2860
Record ID
517dad6d-9fec-4408-9365-6187f9a8a512
Library Location
Mechanical Engineering
Date
2017
Notes
Eskişehir Osmangazi University
Sample Text
A new coordination polymer {[Zn(μ3-ppda)(H2O)(μ-bpa)Zn(μ-ppda)(μ-bpa)]·4H2O}n (1) (ppda = 1,4-phenylenediacetate, bpa = 1,2-bis(4-pyridyl)ethane) has been synthesized by microwave-assisted reaction and characterized by elemental analysis, IR spectroscopy, single-crystal and powder X-ray diffractions. The asymmetric unit of 1 consists of two Zn(II) ions, two bpa ligands, two ppda ligands, one coordinated and four non-coordinated water molecules. In 1, ppda2− anions are linked the adjacent Zn(II) centers to generate 1D double-stranded chains. These chains are connected into 2D sheets by the bridging bpa ligands. Atomically detailed modeling was performed to compute single and binary component adsorption isotherms of H2, CO2, CH4 and N2 in complex 1. Results showed that 1 exhibits a high adsorption selectivity towards CO2 due to its high affinity for CO2. Results of this study will be helpful to guide the microwave-assisted reaction of coordination polymers to design promising adsorbents for gas storage and gas separation applications. The luminescent property of 1 and the selective removal of dyes in 1 have been also discussed. Results showed that 1 can be a potential candidate for luminescence applications and can selectively adsorb methylene blue (MB) dye molecules.
DOI
10.1016/j.molstruc.2017.04.099
Cilt
1143
