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Öğe A dual-emitting Rhodamine B-encapsulated Zn-based MOF for the selective sensing of Chromium(VI)(Pergamon-Elsevier Science Ltd, 2024) Shah, Javed Hussain; Sharif, Shahzad; Sahin, Onur; Shahbaz, Muhammad; Azeem, Waqar; Ahmad, SaeedA Rhodamine B-Zn-MOF composite (RhB-Zn-MOF) with dual emission intensity was synthesized through one pot synthesis by in -situ encapsulation of Rhodamine-B dye on a new Zn-MOF metal-organic framework [(Zn (OAc)2(4-BrIPh) (1,10-phenonthroline)(H2O)].H2O, (4-BrIPh = 4-Bromoisophthalic acid). The synthesized encapsulated material was characterized by elemental analysis, FTIR, UV-Visible spectroscopy, TGA, single crystal and powder X-ray diffraction and photoluminescence spectroscopy. The results showed that the synthesized composite, RhB-Zn-MOF could be used as an efficient probe for the selective sensing of Cr(VI) in the presence of Cr(III) as well as other metal ions.Öğe Solvothermal synthesis, crystal structure, thermal, magnetic properties and DFT computations of a Ytterbium(III) complex derived from pyridine-2,6-dicarboxylic acid(Elsevier, 2022) Sharif, Shahzad; Saeed, Maham; Dege, Necmi; Bano, Rehana; Ahmad, Saeed; Gilani, Mazhar Amjad; Sahin, OnurA new ytterbium(III) complex, (DMAH(2))(3)[Yb(Pydc)(3)].4H(2)O (1) {Pydc = Pyridine-2,6-dicarboxylate anion, DMAH(2) = Dimethylammonium} has been prepared under mild solvothermal conditions and character-ized by elemental analysis, IR spectroscopy, thermal analysis and single crystal X-ray diffraction. The DMAH2 molecules in 1 , generated in situ from hydrolysis of N,N-dimethylformamide are responsible to assemble 2D coordination polymer through N-H center dot center dot center dot O and O-H center dot center dot center dot O h ydrogen bonding. Magnetic suscepti-bility measurements indicate that the complex ( 1 ) obeys the Curie Weiss law and the overall magnetic behavior is typical for the presence of weak antiferromagnetic exchange coupling interactions. Theoretical data for geometrical parameters of complex 1 agree well with the experimental data. Large HOMO-LUMO energy gap of 4.33 eV has provided kinetic stability to the complex 1 . NBO analysis reflects that in-tramolecular charge transfer occurred between ligand and metal orbitals with the highest stabilization energy of 1024.04 kcal/mol. The negative electrostatic potential at the nitrogen and dianionic pyridine-2,6-dicarboxylate regions confirms that these are dynamic locations for Yb(III) binding. (c) 2022 Elsevier B.V. All rights reserved.Öğe Synthesis, crystal structure and magnetic properties of an octanuclear cerium(III) complex of pyridine-2,6-dicarboxylate(Walter De Gruyter Gmbh, 2019) Sharif, Shahzad; Khan, Islam Ullah; Sahin, Onur; Jabeen, Nadia; Ahmad, Saeed; Khan, BushraAn octanuclear compound of cerium(III), [Ce-8(Pydc)(10)(HPydc)(4)center dot 22H(2)O]center dot 11H(2)O (1) (Pydc = pyridine-2,6-dicarboxylate anion) was prepared under mild solvothermal conditions and its crystal structure was determined by single-crystal X-ray diffraction. Three kinds of coordination environments are observed, which include: [Ce(Pydc)(3)], [Ce(Pydc)(H2O)(4)(O,O)], and [Ce(H2O)(7) (O,O)]. Each cerium atom in 1 is nine-coordinated but two different geometries are found. The Ce1 and Ce2 atoms exhibit a nearly tricapped trigonal prismatic CeN3O8 geometry, while Ce3 and Ce4 possess CeNO8 and CeO9 coordination polyhedra, which approximate to slightly distorted mono-capped square antiprisms having 12 triangular faces. The Pydc ligands adopt tri-, tetra-, and penta-coordination modes through tridentate chelating and, mu(2) and mu(3)-bridging modes, respectively. The clusters are joined by O-II center dot center dot center dot O hydrogen bonds to generate 3D supramolecular network. Magnetic susceptibility measurements for 1 indicate that the chi(m) values obey the Curie-Weiss law. The overall magnetic behavior is typical for the presence of antiferromagnetic exchange coupling interactions between the cerium(III) ions.