A zinc–nicotinate complex, {[Zn(na)2(µ-pbix)]∙H2O}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)]∙H2O}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 H2
adsorption isotherms at a pressure range of 0.01–100 bar and at 298 K and 77 K.
The maximum H2 uptake in 1
was found as 68 cm3/ 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.
Coordination polymer nicotinic acid N-donor ligand zinc(II) complex molecular simulations
Birincil Dil | İngilizce |
---|---|
Konular | Mühendislik, Kimya Mühendisliği |
Bölüm | Makaleler |
Yazarlar | |
Yayımlanma Tarihi | 13 Temmuz 2017 |
Gönderilme Tarihi | 27 Haziran 2017 |
Kabul Tarihi | 11 Eylül 2017 |
Yayımlandığı Sayı | Yıl 2017 Cilt: 4 Sayı: 1 |