Facile synthesis of 2D Zn(II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulations

Name: Facile synthesis of 2D Zn(II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulations
Author: Sezer, G. G., Yeşilel, O. Z., Şahin, O., Arslanoğlu, H., Fındıkçı, İlknur Eruçar

İsim	Facile synthesis of 2D Zn(II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulations
Yazar	Sezer, G. G., Yeşilel, O. Z., Şahin, O., Arslanoğlu, H., Fındıkçı, İlknur Eruçar
Basım Tarihi:	2017
Basım Yeri	- Elsevier
Konu	Coordination polymers, 1,4-Phenylenediacetate, 1,2-Bis(4-pyridyl)ethane, Microwave-assisted method, Molecular simulation, Methylene blue
Tür	Süreli Yayın
Dil	İngilizce
Dijital	Evet
Yazma	Hayır
Kütüphane:	Özyeğin Üniversitesi
Demirbaş Numarası	0022-2860
Kayıt Numarası	517dad6d-9fec-4408-9365-6187f9a8a512
Lokasyon	Mechanical Engineering
Tarih	2017
Notlar	Eskişehir Osmangazi University
Örnek Metin	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

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Facile synthesis of 2D Zn(II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulations

Yazar Sezer, G. G., Yeşilel, O. Z., Şahin, O., Arslanoğlu, H., Fındıkçı, İlknur Eruçar

Basım Tarihi 2017

Basım Yeri - Elsevier

Konu Coordination polymers, 1,4-Phenylenediacetate, 1,2-Bis(4-pyridyl)ethane, Microwave-assisted method, Molecular simulation, Methylene blue

Tür Süreli Yayın

Dil İngilizce

Dijital Evet

Yazma Hayır

Kütüphane Özyeğin Üniversitesi

Demirbaş Numarası 0022-2860

Kayıt Numarası 517dad6d-9fec-4408-9365-6187f9a8a512

Lokasyon Mechanical Engineering

Tarih 2017

Notlar Eskişehir Osmangazi University

Örnek Metin 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