- Journal of the Turkish Chemical Society Section A: Chemistry
- Vol: 4 Issue: 1 Special Issue
- Hydrothermal Synthesis, Crystal Structure and Properties of 1D Zigzag Chain Zinc(II) Coordination Po...
Hydrothermal Synthesis, Crystal Structure and Properties of 1D Zigzag Chain Zinc(II) Coordination Polymer Constructed from Nicotinic Acid and 1,4-Bis(imidazol-1-ylmethyl)benzene
Authors : Güneş Günay Sezer, Ilknur Eruçar
Pages : 23-38
Doi:10.18596/jotcsa.323787
View : 3 | Download : 1
Publication Date : 2017-07-13
Article Type : Research
Abstract :A zinc–nicotinate complex, {[Zn(na) 2 ( µ- pbix)]∙H 2 O} n (1) , was obtained from the reaction of zinc(II) acetate with nicotinic acid (Hna) and 1,4-bis(imidazol-1-ylmethyl)benzene (pbix) in water at 120 °C under hydrothermal conditions and characterized by elemental analysis, IR spectroscopy, single crystal and powder X-ray diffraction. The thermal stability and luminescent property for 1 were also reported. The asymmetric unit of 1 consists of one zinc(II) center, one pbix ligand, two na anions and one non-coordinated water molecule, giving a formula of {[Zn(na) 2 ( µ- pbix)] ∙ H 2 O} n . The Zn(II) ion is coordinated by two nitrogen atoms from two different 1,4-bis(imidazol-1-ylmethyl)benzene ligands and two oxygen atoms from two different nicotinate (na) anions, thus showing a distorted tetrahedral geometry. The adjacent Zn(II) ions are linked into an infinite 1D zigzag chain by 1,4-bis(imidazol-1-ylmethyl)benzene ligands. Grand canonical Monte Carlo (GCMC) simulations were also performed to compute single-component H 2 adsorption isotherms at a pressure range of 0.01–100 bar and at 298 K and 77 K. The maximum H 2 uptake in 1 was found as 68 cm 3 / g STP at 100 bar and 77 K. This study will be useful to accelerate the hydrothermal synthesis of new coordination polymers for gas storage applications.Keywords : Coordination polymer, nicotinic acid, N-donor ligand, zinc(II) complex, molecular simulations