Facile synthesis of 2D Zn(II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulations
Yazarlar (5)
Güneş Günay Sezer
Bartın Üniversitesi, Türkiye
Prof. Dr. Okan Zafer Yeşilel Eskişehir Osmangazi Üniversitesi, Türkiye
Prof. Dr. Onur ŞAHİN Sinop Üniversitesi, Türkiye
Prof. Dr. Hasan Arslanoğlu Fırat Üniversitesi, Türkiye
İlknur Erucar
Özyeğin Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Structure (Q3)
Dergi ISSN 0022-2860 Dergi Bilgileri (2017)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 09-2017
Cilt / Sayı / Sayfa 1143 / 1 / 355–361 DOI 10.1016/j.molstruc.2017.04.099
Makale Linki http://linkinghub.elsevier.com/retrieve/pii/S0022286017305537
UAK Araştırma Alanları
Yoğun Madde Fiziği
Özet
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 …
Anahtar Kelimeler
1,2-Bis(4-pyridyl)ethane | 1,4-Phenylenediacetate | Coordination polymers | Methylene blue | Microwave-assisted method | Molecular simulation