Synthesis, crystal structure, and quantum mechanical studies regarding a new metal–organic complex based on Cd (II)

2021 ◽  
Author(s):  
zohreh razmara ◽  
Fereshteh Shiri ◽  
Pouya Karimi ◽  
Marek Necas
Keyword(s):  
Three Dimensional ◽  
Pentagonal Bipyramid ◽  
Quantum Mechanical ◽  
Water Molecules ◽  
Organic Complex ◽  
Polymeric Networks ◽  
Metal Organic Complex ◽  
Metal Organic ◽  
Coordinated Water ◽  
Mechanical Studies

Abstract A novel metal-organic complex formulated as [Cd (phen)(dipic) (H2O)2]. 3 H2O (phen = 1, 10-phenanthroline; dipic2−= pyridine-2,6-dicarboxylate) has been hydrothermally synthesized at 150°C for 48h. The structure of Cd complex was characterized by elemental analysis, Fourier-transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), differential thermal analysis (DTA), and single-crystal X-ray diffraction (SC-XRD). The crystal system of Cd complex is monoclinic with space group C 2/c. The pentagonal bipyramid (seven coordinate) around Cd2+ center filled by two terminal water ligands, one 1,10-phenanthroline, and one pyridine-2,6-dicarboxylate anion. Extensive O–H···O hydrogen bonding interactions involving all coordinated water molecules, dipicolinate oxygens, and crystallization water molecules further stabilize the complex units by linking them to form three-dimensional polymeric networks. Indeed, quantum mechanical studies were performed to understand effective factors on stability of the Cd(II) complex.

Three-Dimensional Zn(II) Complex Based on 2-[(1H-Imidazol-1-yl)Methyl]-6-Methyl-1H- Benzimidazole and Aliphatic Carboxylate

2018 ◽  
Vol 42 (11) ◽  
pp. 575-578 ◽  
Author(s):  
Di Cheng ◽  
Ya-Ping Zhang ◽  
Ke Wang ◽  
Xiang-Ru Meng ◽  
Xiao-Fei Li
Keyword(s):  
Crystal Structure ◽  
Succinic Acid ◽  
Three Dimensional ◽  
Organic Complex ◽  
Thermogravimetric Data ◽  
Metal Organic Complex ◽  
Metal Organic

The metal–organic complex {[Zn(immb)(suc)]·H2O}n [immb = 2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole, H2suc = succinic acid] has been prepared and its crystal structure determined. Its fluorescence and thermogravimetric data have also been obtained.

Controllable assembly of a three-dimensional metal–organic supramolecular framework including π–π stacking interactions

2012 ◽  
Vol 69 (1) ◽  
pp. 8-10
Author(s):  
Hua Cai ◽  
Ying Guo ◽  
Jian-Gang Li
Keyword(s):  
Three Dimensional ◽  
Mixed Ligand ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Supramolecular Framework ◽  
Organic Complex ◽  
Π Stacking ◽  
Dimensional Network ◽  
Metal Organic Complex ◽  
Metal Organic

The mixed-ligand metal–organic complex poly[(μ3-phthalato)[μ2-3-(pyridin-2-yl)-1H-pyrazol-1-ido]dicopper(II)], [Cu2(C8H4O4)(C8H6N3)2]n, has been synthesized by the reaction of copper(II) acetate with 2-(1H-pyrazol-3-yl)pyridine (HL) and phthalic acid. The binuclear chelating–bridgingLunits are further linked by bridging phthalate ligands into a two-dimensional network parallel to the (010) plane. The two-dimensional networks are extended into a three-dimensional supramolecular architectureviaπ–π stacking interactions.

A Three-Dimensional Metal-Organic Framework Displaying Guest-Dependent Spin-Crossover Behaviour

2018 ◽  
Vol 779 ◽  
pp. 110-114
Author(s):  
Feng Shao ◽  
Jia Jia Zhuang ◽  
Gang Luo ◽  
Ke Zhang ◽  
Chang Jiang Li ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Metal Organic Framework ◽  
Three Dimensional ◽  
Organic Complex ◽  
Single Crystal Diffraction ◽  
Guest Molecules ◽  
X Ray ◽  
Metal Organic Complex ◽  
Metal Organic ◽  
3D Framework

A new three-dimensional metal-organic complex, [{Fe (NCSe)2}3(TPB)4]x(guest), was prepared with the ligand of TPB (1,3,5-tris (4-pyridyl) benzene). The X-ray single crystal diffraction studied in 100 K and 173 K shown the change of bonds and angles of the framework. The guest exchange and magnetic properties indicated that the 3D framework can be responsible to the solvent guest molecules and shows guest-dependent spin-crossover behaviour.

A new one-dimensional nickel metal–organic framework:catena-poly[[[diaquabis(4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoato-κO)nickel(II)]-μ-4,4′-bipyridine-κ2N:N′] monohydrate]

2014 ◽  
Vol 70 (3) ◽  
pp. 267-271 ◽  
Author(s):  
Aijing Geng ◽  
Qingfu Zhang ◽  
Jiajia Wang ◽  
Haina Zhang ◽  
Dezhi Sun
Keyword(s):  
Three Dimensional ◽  
Nickel Chloride ◽  
Chain Structure ◽  
Title Complex ◽  
Water Molecules ◽  
Hydrothermal Conditions ◽  
Nickel Metal ◽  
One Dimensional ◽  
Metal Organic ◽  
Coordinated Water

The title complex, {[Ni(C15H11N4O2S)2(C10H8N2)(H2O)2]·H2O}n, was synthesized by the reaction of nickel chloride, 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid (HL) and 4,4′-bipyridine (bpy) under hydrothermal conditions. The asymmetric unit contains two half NiIIions, each located on an inversion centre, twoL−ligands, one bpy ligand, two coordinated water molecules and one unligated water molecule. Each NiIIcentre is six-coordinated by two monodentate carboxylate O atoms from two differentL−ligands, two pyridine N atoms from two different bpy ligands and two terminal water molecules, displaying a nearly ideal octahedral geometry. The NiIIions are bridged by 4,4′-bipyridine ligands to afford a linear array, with an Ni...Ni separation of 11.361 (1) Å, which is further decorated by two monodentateL−ligandstransto each other, resulting in a one-dimensional fishbone-like chain structure. These one-dimensional fishbone-like chains are further linked by O—H...O, O—H...N and C—H...O hydrogen bonds and π–π stacking interactions to form a three-dimensional supramolecular architecture. The thermal stability of the title complex was investigatedviathermogravimetric analysis.

A new cobalt(II) complex nanosheet as an electroactive medium for plasmonic switching on Au nanoparticles

2021 ◽  
Author(s):  
Yurong Liu ◽  
Wenzheng Lu ◽  
Xizhe Cheng ◽  
Jianfang Wang ◽  
Wai-Yeung Raymond Wong
Keyword(s):  
High Stability ◽  
Au Nanoparticles ◽  
Organic Complex ◽  
Metal Organic Complex ◽  
Metal Organic

2D metal-organic complex nanosheets with the merits of high stability and structure tunability are an emerging topic in recent years. To extend the promising ultrathin architectures, a new Co(II) complex...

High-Performance Single-Electron Transistor Based on Metal–Organic Complex of Thiophene: First Principle Study

2017 ◽  
Vol 64 (11) ◽  
pp. 4628-4635 ◽  
Author(s):  
Anu ◽  
Archana Sharma ◽  
Md. Shahzad Khan ◽  
Anurag Srivastava ◽  
Mushahid Husain ◽  
...  
Keyword(s):  
High Performance ◽  
Single Electron ◽  
Single Electron Transistor ◽  
First Principle ◽  
Organic Complex ◽  
Metal Organic Complex ◽  
Metal Organic

scholarly journals Crystal structure of poly[diaquabis(μ5-benzene-1,3-dicarboxylato)(N,N-dimethylformamide)cadmium(II)disodium(I)]

2017 ◽  
Vol 73 (11) ◽  
pp. 1599-1602 ◽  
Author(s):  
Matimon Sangsawang ◽  
Kittipong Chainok ◽  
Nanthawat Wannarit
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Carboxylate Groups ◽  
Benzene Rings ◽  
Coordinated Water ◽  
Coordinate Geometry

The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2]nor [CdNa2(1,3-bdc)2(DMF)(H2O)2]n, is a new CdII–NaIheterobimetallic coordination polymer. The asymmetric unit consists of one CdIIatom, two NaIatoms, two 1,3-bdc ligands, two coordinated water molecules and one coordinated DMF molecule. The CdIIatom exhibits a seven-coordinate geometry, while the NaIatoms can be considered to be pentacoordinate. The metal ions and their symmetry-related equivalents are connectedviachelating–bridging carboxylate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O—H...O hydrogen bonds involving the coordinated water molecules and the 1,3-bdc carboxylate groups and π–π stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks.

scholarly journals Crystal structure ofcatena-poly[[[tetraaquairon(II)]-trans-μ-1,2-bis(pyridin-4-yl)ethene-κ2N:N′] bis(p-toluenesulfonate) methanol disolvate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1977-1980
Author(s):  
Volodymyr M. Hiiuk ◽  
Diana D. Barakhty ◽  
Sergiu Shova ◽  
Ruslan A. Polunin ◽  
Il'ya A. Gural'skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Polymeric Complex ◽  
Distorted Octahedral ◽  
Polymeric Chains ◽  
Coordinated Water

In the title polymeric complex, {[Fe(C12H10N2)2(H2O)4](CH3C6H4SO3)2·2CH3OH}n, the FeIIcation, located on an inversion centre, is coordinated by four water molecules in the equatorial positions and two 1,2-bis(pyridin-4-yl)ethene molecules in the axial positions. This results in a distorted octahedral geometry for the [N2O4] coordination polyhedron. The 1,2-bis(pyridin-4-yl)ethene molecules bridge the FeIIcations, forming polymeric chains running along thea-axis direction. Stabilization of the crystal structure is provided by O—H...O hydrogen bonds; these are formed by coordinated water molecules as donors towards the O atoms of the methanol molecules and tosylate anions as acceptors of protons, leading to the formation of a three-dimensional supramolecular network. Weak C—H...O hydrogen bonds are also observed in the crystal.

scholarly journals Crystal structure of poly[[di-μ3-acetato-tetraaquabis(μ2-cyclohexane-1,4-dicarboxylato)dilanthanum(III)] dihydrate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1926-1930
Author(s):  
R. Drisya ◽  
U. S. Soumya Mol ◽  
P. R. Satheesh Chandran ◽  
M. Sithambaresan ◽  
M. R. Sudarsankumar
Keyword(s):  
Crystal Structure ◽  
Coordination Mode ◽  
Three Dimensional ◽  
Raw Material ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Formula Unit ◽  
Remarkable Feature ◽  
Two Component ◽  
Coordinated Water

The title compound, {[La2(CH3COO)2(C8H10O4)2(H2O)4]·2H2O}nor [La2(ac)2(e,a-cis-1,4-chdc)2(H2O)4]·2H2O, whereacis acetate and 1,4-chdc is cyclohexane-1,4-dicarboxylate anion, is a binuclear lanthanum(III) complex. Each metal atom is decacoordinated by four O atoms from two distinct 1,4-chdc2−ligands, four O atoms from three acetate groups and two O atoms from coordinated water molecules to form a distorted bicapped square-antiprismatic geometry. Two non-coordinated water molecules are also present in the formula unit. The most remarkable feature of this compound is that it possesses a onlycisconformation for cyclohexane-1,4-dicarboxylic acid, although the raw material consists of a mixture ofcisandtransisomers. The μ3-η2:η2coordination mode of the bridging acetate group and the flexible dicarboxylate fragments of 1,4-chdc2−results in the formation of infinite two-dimensional lanthanide–carboxylate layers within the crystal structure. The directionality of strong intermolecular O—H...O and weak C—H...O interactions provides robustness to the layers, which leads to the construction of a three-dimensional supramolecular network. The crystal studied was refined as a two-component twin.

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