scholarly journals H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ4-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate

Crystals ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 48
Author(s):  
Jeannette Carolina Belmont-Sánchez ◽  
María Eugenia García-Rubiño ◽  
Antonio Frontera ◽  
Josefa María González-Pérez ◽  
Alfonso Castiñeiras ◽  
...  
Keyword(s):  
Magnetic Measurements ◽  
Magnetic Behavior ◽  
Esr Spectra ◽  
Water Molecules ◽  
Polymeric Compound ◽  
Π Stacking ◽  
Carboxylate Groups ◽  
3D Network ◽  
Ft Ir

We synthesized and studied the polymeric compound {[Cu2(µ4-EDTA)(Him)2] 2H2O}n (1). The single-crystal structure is reported along with an in depth characterization of its thermal stability (TGA), spectral properties (FT-IR, Vis-UV and RSE), and magnetic behavior. The crystal consists of infinite 2D-networks built by centrosymmetric dinuclear motifs, constructed by means of a bridging anti,syn-carboxylate group from each asymmetric unit. Each layer guides Him ligands toward their external faces. They are connected by intermolecular (Him)N-H···O(carboxylate) bonds and antiparallel π–π stacking between symmetry related pairs of Him ligands, and then pillared in a 3D-network with parallel channels, where disordered water molecules are guested. About half of the labile water is lost from these channels over a wide temperature range (r.t. to 210 °C) before the other one, most strongly retained by the cooperating action of (water)O1-H(1A)···O(carboxylate) and (water) O1-H(1B)···π(Him) interactions. The latter is lost when organic ligands start to burn. ESR spectra and magnetic measurements indicated that symmetry related Cu(II) centers connected by the bridging carboxylate groups behave magnetically not equivalently, enabling an exchange interaction larger than their individual Zeeman energies.

In-Situ Copper(II) Complexes of Some Quinolone Drug Ligands Were Discussed for Their Molecular Structures: Synthesis in Binary Solvent

2017 ◽  
Vol 14 (1) ◽  
pp. 561-576 ◽  
Author(s):  
Samy M El-Megharbel ◽  
M. A Hussien ◽  
Moamen S Refat
Keyword(s):  
Magnetic Moments ◽  
Esr Spectra ◽  
Molecular Structures ◽  
Water Molecules ◽  
Binary Solvent ◽  
Carboxylate Groups ◽  
Conductance Data ◽  
Spin Resonance ◽  
Ft Ir

A series of copper solid complexes with different generation of quinolone drugs of the type [Cu(L)n(Cl)x(H2O)y]·zH2O ((1) L: nalidixic acid (Nal), n = 2, x = 2, y = 2, z = 9; (2) L: oxolonic acid (Oxo), n = 2, x = 2, y = 2, z = 2; (3) L: pipemidic acid (Pip), n = 2, x = 2, y = 2, z = 4; (4) L: lomefloxacin (Lom), n = 2, x = 2, y = 2, z = 2; (5) L: pefloxacin mesylate (Pef), n = 2, x = 2, y = 2, z 2; (6) L: levofloxacin (Lev), n = 2, x = 2, y = 2, z = 2) were synthesized and identified using micro-analytical, FT-IR spectroscopy, conductance data, effective magnetic moments, electronic UV-vis spectra, electron-spin-resonance (ESR) spectra. Except levofloxacin that behaves as bi-dentate fashion through oxygen atoms of pyridone and carboxylate groups, the other quinolone drug chelates acts as uni-dentate via nitrogen atom of pyridone/piperazyl moiety. Electronic spectroscopic tools are in agreement with an octahedral geometrical structure. Thermal degradation analyses TG-DTG in nitrogen gas environmental are discussed the number and location of water molecules. The thermal decomposition process is completely in 3–5 steps, that the first step is responsible to loss of uncoordinated water molecules. The stabilities of Cu(II) complex 1–5 were studied dependent on activations of energy E*, entropy ΔS*, enthalpy ΔH* and Gibbs free energy ΔG* that have been estimated using Coats-Redfern and Horowitz-Metzeger non-isothermal methods. Molecular docking was used to predict the binding between some quinolone drugs with the receptor of breast cancer mutant 3hb5-oxidoreductase.

Magnetic Exchange Based on π-π Stacking Interactions: Synthesis, Crystal Structure, Thermal Decomposition and Magnetic Properties of [Ce(phen)2(H2O)2(NO3)2](NO3)(phen)2(H2O)

2002 ◽  
Vol 57 (11) ◽  
pp. 1244-1250 ◽  
Author(s):  
Yue-Qing Zheng ◽  
Lin-Xia Zhou ◽  
Jian-Li Lin ◽  
Dan-Yi Wei
Keyword(s):  
Title Compound ◽  
Magnetic Measurements ◽  
Magnetic Behavior ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Magnetic Exchange ◽  
Crystal Water ◽  
Π Stacking ◽  
Nitrato Complexes ◽  
Positively Charged

Reaction of Ce(NO3)3·6H2O and 1,10-phenanthroline in CH3OH / H2O afforded the title compound [Ce(phen)2(H2O)2(NO3)2](NO3)(phen)2(H2O), which consists of [Ce(phen)2- (H2O)2(NO3)2]+ complex cations, NO3- anions, phen and crystal water molecules. Within the [Ce(phen)2(H2O)2(NO3)2]+ complex cations, the Ce atoms are 10-fold coordinated by four pyridyl N atoms, four nitrato O and two water O atoms with d(Ce-O) = 2.505 - 2.629 and d(Ce-N) = 2.666 - 2.734 Å. The supramolecular assemblies of the complex cations via π-π stacking interactions form 1D columnar chains, which run parallel to give positively charged 2D layers. The phen molecules are also assembled via π-π stacking interactions into 1D columnar chains whose arrangement results in neutral 2D layers. The NO3- anions and the crystal water molecules are situated between the positively charged and neutral 2D layers. The title compound decomposes in four steps upon heating. Magnetic measurements show that it is a ferrimagnet at low temperature and follows the Curie-Weiss law χm(T - θ) = 0.796 (cm3 mol-1 K) with the Weiss constant θ = -57(2) K over the temperature range 50 - 300 K. Comparison of the magnetic behavior of the title cerium complex with that of the Pr and Tb phen nitrato complexes of the formula Ln(phen)2(NO3)3 (Ln = Pr, Tb) suggests that magnetic exchange is probably transmitted via the π-π stacking interactions.

scholarly journals Synthesis and Structural Characterization of (E)-4-[(2-Hydroxy-3-methoxybenzylidene)amino]butanoic Acid and Its Novel Cu(II) Complex

Molbank ◽  
10.3390/m1179 ◽  
2021 ◽  
Vol 2021 (1) ◽  
pp. M1179
Author(s):  
Eleftherios Halevas ◽  
Antonios Hatzidimitriou ◽  
Barbara Mavroidi ◽  
Marina Sagnou ◽  
Maria Pelecanou ◽  
...  
Keyword(s):  
Schiff Base ◽  
Gamma Aminobutyric Acid ◽  
X Ray Diffraction ◽  
Reaction Conditions ◽  
Polymeric Compound ◽  
Bridging Ligands ◽  
1H And 13C Nmr ◽  
One Dimensional ◽  
Ft Ir

A novel Cu(II) complex based on the Schiff base obtained by the condensation of ortho-vanillin with gamma-aminobutyric acid was synthesized. The compounds are physico-chemically characterized by elemental analysis, HR-ESI-MS, FT-IR, and UV-Vis. The complex and the Schiff base ligand are further structurally identified by single crystal X-ray diffraction and 1H and 13C-NMR, respectively. The results suggest that the Schiff base are synthesized in excellent yield under mild reaction conditions in the presence of glacial acetic acid and the crystal structure of its Cu(II) complex reflects an one-dimensional polymeric compound. The molecular structure of the complex consists of a Cu(II) ion bound to two singly deprotonated Schiff base bridging ligands that form a CuN2O4 chelation environment, and a coordination sphere with a disordered octahedral geometry.

Synthesis and Structural Characterization of the Mixed Ligand Complex [Cu(Hml)2(Phen)] · 2 H2O (H2ml = 2-Methyllactic Acid)

2003 ◽  
Vol 58 (1) ◽  
pp. 151-154 ◽  
Author(s):  
Rosa Carballo ◽  
Berta Covelo ◽  
Ezequiel M. Vázquez-Lópeza ◽  
Alfonso Castiñeiras ◽  
Juan Niclós
Keyword(s):  
Magnetic Measurements ◽  
Mixed Ligand Complex ◽  
Three Dimensional ◽  
Mixed Ligand ◽  
Water Molecules ◽  
Ligand Complex ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral

Abstract A new mixed-ligand complex of copper(II) with 1,10-phenanthroline and 2-methyllactate was prepared. [Cu(HmL)2(phen)] ·2H2O (where HmL = monodeprotonated 2-methyllactic acid) was characterized by elemental analysis, IR, electronic and EPR spectroscopy, magnetic measurements at room temperature, thermogravimetric analysis and X-ray diffractometry. The copper atom is in a tetragonally distorted octahedral environment and the 2-methyllactato ligand is bidentately chelating. The presence of lattice water molecules mediates the formation of a three-dimensional network.

A one-dimensional coordination polymer with a three-dimensional supramolecular framework:catena-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ3-4,4′-sulfonyldibenzoato] trihydrate]

2013 ◽  
Vol 69 (3) ◽  
pp. 241-243 ◽  
Author(s):  
Jun Wang ◽  
Jian-Qing Tao ◽  
Xiao-Juan Xu ◽  
Chun-Yun Tan
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Polymeric Compound ◽  
Chain Polymer ◽  
One Dimensional ◽  
X Ray ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
Coordination Patterns

In the title mixed-ligand metal–organic polymeric compound, {[Cd(C14H8O6S)(C16H16N2)]·3H2O}n, the asymmetric unit contains a crystallographically unique CdIIatom, one doubly deprotonated 4,4′-sulfonyldibenzoic acid (H2SDBA) ligand, one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and three solvent water molecules. Each CdIIcentre is six-coordinated by two O atoms from a chelating carboxylate group of a SDBA2−ligand, two O atoms from monodentate carboxylate groups of two different SDBA2−ligands and two N atoms from a chelating TMPHEN ligand. There are two coordination patterns for the carboxylate groups of the SDBA2−ligand, with one in a μ1-η1:η1chelating mode and the other in a μ2-η1:η1bis-monodentate mode. Single-crystal X-ray diffraction analysis revealed that the title compound is a one-dimensional double-chain polymer containing 28-membered rings based on the [Cd2(CO2)2] rhomboid subunit. More interestingly, a chair-shaped water hexamer cluster is observed in the compound.

scholarly journals KARAKTERISASI ABU KAYU MERBAU (Intsia, spp.): PENGARUH TEMPERATUR DAN LAMA KALSINASI

2019 ◽  
Vol 15 (1) ◽  
pp. 30-38
Author(s):  
Darma Santi ◽  
Jacson Victor Morin
Keyword(s):  
Calcination Temperature ◽  
Wood Ash ◽  
Hexagonal Structure ◽  
Rhombohedral Structure ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir ◽  
Cubic Structure

Characterization of merbau wood ash (Intsia, spp.) due to the influence of temperature and time of calcination has been studied. The variations in calcination temperature were 500 ᴼC (as M500) and 600 ᴼC (as M600), while the variations in the duration of calcination were 1, 2, and 3 hours, noted as M1, M2, and M3, respectively. Characterization was carried out using X-ray diffraction (XRD) and spectroscopic analysis using FT-IR. XRD results identified the presence of CaCO3 species (rhombohedral structure) and K2Si4O9 species with a hexagonal structure on M500. The M600 species identified Si (cubic structure), SiO2 (cubic structure), K2Si4O9 (hexagonal structure), and CaCO3 (rhombohedral structure). In general, the calcination temperature increases the crystallinity of several compounds contained in merbau wood ash. The length of time calcination reduces the absorption peak due to the decomposition and adsorption reactions of the presence of water molecules bound to the ash material of merbau wood (Intsia, spp).

scholarly journals Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS)-2-Phosphonobutyric Acid

2019 ◽  
Author(s):  
Roberto Köferstein
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystals ◽  
Magnetic Measurements ◽  
Antiferromagnetic Coupling ◽  
Water Molecules ◽  
Space Group ◽  
Thermoanalytical Investigations ◽  
Copper Cations

Blue single crystals of Cu[μ3-O3P(CH2)2COOH].2H2O (1) and Cu[(RS)-μ3-O3PCH(C2H5)COOH].3H2O (2) have been prepared in aqueous Cu2+-solutions (pH = 2.5–3.5) containing 3-phosphonopropionic acid (1) and (RS)-2-phosphonobutyric acid (2), respectively. 1: Space group Pbca (no. 61) with a = 812.5(2), b = 919.00(9), c = 2102.3(2) pm. Cu2+ is five-fold coordinated by three oxygen atomsstemming from [O3P(CH2)2COOH]2– anions and two water molecules. The Cu-O bond lengths range from194.0(3) to 231.8(4) pm. The connection between the [O3P(CH2)2COOH]2– anions and the Cu2+ cations yields apolymeric structure with layers parallel to (001). The layers are linked by hydrogen bonds. 2: Space group Pbca(no. 61) with a = 1007.17(14), b = 961.2(3), c = 2180.9(4) pm. The copper cations are surrounded by five oxygen atoms in a square pyramidal fashion with Cu-O bonds between 193.6(4) and 236.9(4) pm. The coordination between [O3PCH(C2H5)COOH]2- and Cu2+ results in infinite puckered layers parallel to (001). The layers are not connected by any hydrogen bonds. Each layer contains both R and S isomers of the [O3PCH(C2H5)COOH]2-dianion. Water molecules not bound to Cu2+ are intercalated between the layers.UV/Vis spectra suggest three d-d transition bands at 743, 892, 1016 nm for 1 and four bands at 741, 838, 957and 1151 nm for 2, respectively. Magnetic measurements suggest a weak antiferromagnetic coupling betweenCu2+ due to a super-superexchange interaction. Thermoanalytical investigations in air show that the compounds are stable up to 95 °C (1) and 65 °C (2), respectively.

scholarly journals Synthesis and Characterisation of Co(II) Cu(II) Zn(III) and La(II) Complexes of Standard Antidiabetic Drugs

2014 ◽  
Vol 11 (1) ◽  
pp. 51-61
Author(s):  
Mohammad Tawkir
Keyword(s):  
Elemental Analysis ◽  
Analysis Data ◽  
Esr Spectra ◽  
Molar Conductance ◽  
Elemental Analysis Data ◽  
Water Molecules ◽  
Geometrical Structures ◽  
Conductance Data ◽  
Ft Ir ◽  
Hydrated Complexes

Metal complxes of Glimeperide drugs were prepared and characterized based on elemental analysis, FT-IR, Molar conductance and thermal analysis (TGA and DTG) technique. From elemental analysis data, the complexes were proposed to have general formulae (GLM)2Co2H2O, (GLM)2Cu, (GLM)2Zn,and (GLM)2La2H2O. The molar conductance data reveal that all the metal complexes are non-electrolytic, IR spectra shows that GLM are coordinated to metal ions in a neutral bidentate manner from the ESR spectra and XRD-spectra. It is found that the geometrical structures of these complexes are tetrahedral Cu(II) ,Zn(II) and octrahedral Co(II), La(II). The thermal behavior of these complexesstudied using thermogravimetric analysis (TGA and DTG) techniques. The results obtained shows that the hydrated complexes lose water molecules of hydration followed immediately by decomposition of the anions and ligand molecules in the successive unseparate steps.

scholarly journals Synthesis and characterization of magnetic recyclable Fe-substituted zinc aluminate photocatalysts with enhanced sunlight-driven degradation of industrial dyes

2020 ◽  
Author(s):  
Thanit Tangcharoen ◽  
Jiraroj T-Thienprasert ◽  
Chanapa Kongmark
Keyword(s):  
Organic Dyes ◽  
Magnetic Measurements ◽  
Sol Gel ◽  
Magnetic Behavior ◽  
Bandgap Energy ◽  
Magnetic Photocatalyst ◽  
Auto Combustion ◽  
Crystallite Sizes ◽  
Phase Spinel ◽  
Ft Ir

Abstract Using the sol-gel auto combustion approach with diethanolamine (DEA) as fuel, a sequence of iron-substituted zinc aluminates, ZnFexAl2−xO4 powders, including variable Fe3+ ion concentrations (0 ≤ x ≤ 2) were effectively created. XRD, FT-IR, SEM, EDS, BET, UV-DRS, and VSM were employed to examine the structures, chemical bonds, morphologies, composition, surface area, and optical properties as well as the magnetic behavior of the collected samples. A single-phase spinel structure was gained for the calcined aluminate powders with different interplanar spacing and crystallite sizes, as revealed by the classification results. The bandgap energy (Eg) of adapted aluminates was in the range of 2.08–3.14 eV, identified as being much lower compared to the pure sample (5.60 eV). Thus, Fe3+-substituted ZnAl2O4 samples could be successfully photoexcited using both ultraviolet and visible light, as suggested by the results. Examination of how the four main pollutant types decay when irradiated by sunlight was carried out to assess the samples and establish photocatalytic activity. These contaminants included phenol rhodamine B (RhB), heteropolyaromatic methylene blue (MB), azoic methyl orange (MO) and methyl red (MR). The performance of photocatalytic degradation reached 98% after 150 minutes for all optimal samples of organic dyes. Besides, each of the altered photocatalysts could be recycled and displayed high stability. The S-shaped curve of ferrimagnetism can result from in those samples as found by the magnetic measurements, though pure ZnAl2O4 displays diamagnetic characteristics. The adapted samples show intense improvement in the remanent magnetization (Mr) when compared to pure ZnAl2O4, signifying that magnetic photocatalyst recovery by applying an external magnetic field is easy. Thus, these results offer a convincing sign that ZnAl2O4 powders replaced by Fe3+ could provide the ability to aid in the ecologically-friendly collection of solar energy.

scholarly journals Crystal structure ofcatena-poly[[[diaquabis(2,4,6-trimethylbenzoato-κO)cobalt(II)]-μ-aqua-κ2O:O] dihydrate]

2017 ◽  
Vol 73 (5) ◽  
pp. 708-712 ◽  
Author(s):  
Tuncer Hökelek ◽  
Nurcan Akduran ◽  
Safiye Özkaya ◽  
Hacali Necefoğlu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Water Molecules ◽  
Polymeric Compound ◽  
Coordination Environment ◽  
One Dimensional ◽  
Carboxylate Groups ◽  
Polymeric Chains ◽  
Title One

The asymmetric unit of the title one-dimensional polymeric compound, {[Co(C10H11O2)2(H2O)3]·2H2O}n, contains one CoIIcation situated on a centre of inversion, one-half of a coordinating water molecule, one 2,4,6-trimethylbenzoate (TMB) anion together with one coordinating and one non-coordinating water molecule; the TMB anion acts as a monodentate ligand. In the anion, the carboxylate group is twisted away from the attached benzene ring by 84.9 (2)°. The CoIIatom is coordinated by two TMB anions and two water molecules in the basal plane, while another water molecule bridges the CoIIatoms in the axial directions, forming polymeric chains running along [001]. The coordination environment for the CoIIcation is a slightly distorted octahedron. The coordinating and bridging water molecules link to the carboxylate groupsviaintra- and intermolecular O—H...O hydrogen bonds, enclosingS(6) ring motifs, while the coordinating, bridging and non-coordinating water molecules link to the carboxylate groups and the coordinating water molecules link to the non-coordinating water moleculesviaO—H...O hydrogen bonds, enclosingR22(8) andR33(8) ring motifs. Weak C—H...O and C—H...π interactions may further stabilize the crystal structure.

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