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, İlknur ERUÇAR

Pages : 23-38

Doi:10.18596/jotcsa.323787

View : 11 | Download : 13

Publication Date : 2017-07-13

Article Type : Research Paper

Abstract :A zinc–nicotinate complex, {[Zninsert ignore into journalissuearticles values(na); 2 insert ignore into journalissuearticles values( µ- pbix);]∙H 2 O} n insert ignore into journalissuearticles values(1); , was obtained from the reaction of zincinsert ignore into journalissuearticles values(II); acetate with nicotinic acid insert ignore into journalissuearticles values(Hna); and 1,4-bisinsert ignore into journalissuearticles values(imidazol-1-ylmethyl);benzene insert ignore into journalissuearticles values(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 zincinsert ignore into journalissuearticles values(II); center, one pbix ligand, two na anions and one non-coordinated water molecule, giving a formula of {[Zninsert ignore into journalissuearticles values(na); 2 insert ignore into journalissuearticles values( µ- pbix);] ∙ H 2 O} n . The Zninsert ignore into journalissuearticles values(II); ion is coordinated by two nitrogen atoms from two different 1,4-bisinsert ignore into journalissuearticles values(imidazol-1-ylmethyl);benzene ligands and two oxygen atoms from two different nicotinate insert ignore into journalissuearticles values(na); anions, thus showing a distorted tetrahedral geometry. The adjacent Zninsert ignore into journalissuearticles values(II); ions are linked into an infinite 1D zigzag chain by 1,4-bisinsert ignore into journalissuearticles values(imidazol-1-ylmethyl);benzene ligands. Grand canonical Monte Carlo insert ignore into journalissuearticles values(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