Trigonal dodecahedral sodium coordination in a trinuclear copper(II)-sodium complex incorporating a salen-type compartmental Schiff base

2017 ◽  
Vol 72 (2) ◽  
pp. 133-140 ◽  
Author(s):  
Madhusudan Nandy ◽  
Debnath Saha ◽  
Corrado Rizzoli ◽  
Shyamapada Shit
Keyword(s):  
Schiff Base ◽  
Sodium Ion ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Physicochemical Studies ◽  
Ft Ir ◽  
Good Agreement ◽  
Ft Ir Spectroscopy

AbstractA new trinuclear heterometallic complex, [(CuL)Na(CuL)]·ClO4 (1), has been prepared using a Schiff base, H2L (where H2L=N,N′-(1,2-phenylene)-bis(3-methoxysalicylideneimine) and characterized by elemental analysis, Fourier transform infra-red (FT-IR) spectroscopy, UV/Vis, magnetic, electrochemical, and single crystal X-ray diffraction methods. The structure analysis reveals that two metallo-ligand [(CuL)] units are connected to each other by a sodium ion resulting in the cationic unit [(CuL)Na(CuL)]+. Both the copper(II) ions display an almost square planar geometry while the sodium ion adopts a trigonal-dodecahedral coordination geometry. The spectroscopic and other physicochemical studies are in good agreement with the crystal structure of the complex.

scholarly journals Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl) acetamido)copper(II) Complex

2011 ◽  
Vol 8 (s1) ◽  
pp. S455-S461 ◽  
Author(s):  
Hakan Arslan ◽  
Ulrich Flörke ◽  
Demet Sezgin Mansuroglu
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Planar Geometry ◽  
Carbonyl Groups ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Electronic Delocalization ◽  
Square Planar ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl) acetamido)copper(II) complex has been synthesized and characterized by elemental analysis and FT-IR spectroscopy. The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1, witha= 13.046(2) Å,b= 13.135(2) Å,c= 13.179(2) Å, α= 67.083(4)°, β= 67.968(4)°,γ= 84.756(4)° andDcalc=1.330 g/cm3for Z = 2. The crystal structure confirms that the complex is a mononuclear copper(II) complex and the 2,2-diphenyl-N-(di-n-propyl-carbamothioyl)acetamide ligand is a bidentate chelating ligand, coordinating to the copper atom through the thiocarbonyl and carbonyl groups. This coordination has a slightly distorted square-planar geometry (O1-Cu1-O2: 86.48(11)°, O1-Cu1-S1: 93.85(9)°, O2-Cu1-S2: 94.20(9)° and S1-Cu1-S2: 91.21(4)°). The title molecule shows acis-arrangement and C–O, C–S and C–N bond lengths of the complex suggest considerable electronic delocalization in the chelate rings.

Coordination of a triazine ligand with CuII and AgI investigated by spectral, structural, theoretical and docking studies

2019 ◽  
Vol 75 (10) ◽  
pp. 1389-1397
Author(s):  
Farzin Marandi ◽  
Keyvan Moeini ◽  
Harald Krautscheid
Keyword(s):  
Hydrogen Bonds ◽  
Density Functional ◽  
Docking Studies ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
X Ray ◽  
Square Planar ◽  
Binuclear Structure ◽  
Ft Ir

Two complexes of 5-phenyl-3-(pyridin-2-yl)-1,2,4-triazine (PPTA), namely (ethanol-κO)bis(nitrato-κO)[5-phenyl-3-(pyridin-2-yl-κN)-1,2,4-triazine-κN 2]copper(II), [Cu(NO3)2(C14H10N4)(C2H6O)] or [Cu(NO3)2(PPTA)(EtOH)] (1), and bis[μ-5-phenyl-3-(pyridin-2-yl)-1,2,4-triazine]-κ3 N 1:N 2,N 3;κ3 N 2,N 3:N 1-bis[(nitrato-κO)silver(I)], [Ag2(NO3)2(C14H10N4)2] or [Ag2(NO3)2(μ-PPTA)2] (2), were prepared and characterized by elemental analysis, FT–IR spectroscopy and single-crystal X-ray diffraction. The X-ray structure analysis of 1 revealed a copper complex with square-pyramdial geometry containing two O-donor nitrate ligands along with an N,N′-donor PPTA ligand and one O-donor ethanol ligand. In the binuclear structure of 2, formed by the bridging of two PPTA ligands, each Ag atom has an AgN3O environment and square-planar geometry. In addition to the four dative interactions, each Ag atom interacts with two O atoms of two nitrate ligands on adjacent complexes to complete a pseudo-octahedral geometry. Density functional theory (DFT) calculations revealed that the geometry around the Cu and Ag atoms in 1 opt and 2 opt (opt is optimized) for an isolated molecule is the same as the experimental results. In 1, O—H...O hydrogen bonds form R 1 2(4) motifs. In the crystal network of the complexes, in addition to the hydrogen bonds, there are π–π stacking interactions between the aromatic rings (phenyl, pyridine and triazine) of the ligands on adjacent complexes. The ability of the ligand and complexes 1 and 2 to interact with ten selected biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS, Top II and B-DNA) was investigated by docking studies. The results show that the studied compounds can interact with proteins better than doxorubicin (except for TrxR and Top II).

Synthesis, characterization, and electrochemical study of a mononuclear Cu(II) complex with a 4-acyl pyrazolone ligand

2018 ◽  
Vol 73 (10) ◽  
pp. 713-718 ◽  
Author(s):  
Kiran Nakum ◽  
Rajendrasinh N. Jadeja
Keyword(s):  
Single Crystal ◽  
Thermo Gravimetric Analysis ◽  
Planar Geometry ◽  
Spectroscopic Techniques ◽  
Gravimetric Analysis ◽  
Thermo Gravimetric ◽  
X Ray ◽  
Square Planar ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Abstract1-(2-Chlorophenyl)-3-methyl-4-propionyl-1H-pyrazol-5(4H)-one was synthesized and characterized by Fourier transform infrared (FT-IR) spectroscopy, 1H nuclear magnetic resonance, and single-crystal X-ray analysis. Its Cu(II) complex was prepared and characterized by FT-IR, thermo gravimetric analysis-differential thermal analysis, ultraviolet-visible spectroscopy, cyclic voltammetry, and single-crystal X-ray structure determination. On the basis of analytical and spectroscopic techniques, a distorted square planar geometry of the complex has been found.

scholarly journals Mononuclear and Tetranuclear Copper(II) Complexes Bearing Amino Acid Schiff Base Ligands: Structural Characterization and Catalytic Applications

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7301
Author(s):  
Karla-Alejandra López-Gastélum ◽  
Enrique F. Velázquez-Contreras ◽  
Juventino J. García ◽  
Marcos Flores-Alamo ◽  
Gerardo Aguirre ◽  
...  
Keyword(s):  
Schiff Base ◽  
Tridentate Ligand ◽  
Planar Geometry ◽  
X Ray Diffraction ◽  
Schiff Base Ligands ◽  
X Ray ◽  
Square Planar ◽  
Catalytic Applications ◽  
Amino Acid Schiff Base ◽  
Very High

Two new glycine-Schiff base copper(II) complexes were synthesized. Single crystal X-ray diffraction (SCXRD) allowed us to establish the structure of both complexes in the solid state. The glycine-Schiff base copper(II) complex derived from 2′-hydroxy-5′-nitroacetophenone showed a mononuclear hydrated structure, in which the Schiff base acted as a tridentate ligand, and the glycine-Schiff base copper(II) complex derived from 2′-hydroxy-5′-methylacetophenone showed a less common tetranuclear anhydrous metallocyclic structure, in which the Schiff base acted as a tetradentate ligand. In both compounds, copper(II) had a tetracoordinated square planar geometry. The results of vibrational, electronic, and paramagnetic spectroscopies, as well as thermal analysis, were consistent with the crystal structures. Both complexes were evaluated as catalysts in the olefin cyclopropanation by carbene transference, and both led to very high diastereoselectivity (greater than 98%).

scholarly journals Synthesis and characterization of four N-acylhydrazones as potential O,N,O donors for Cu2+: An experimental and theoretical study

2021 ◽  
Vol 26 (2) ◽  
Author(s):  
Dorian Polo-Cerón ◽  
María Mercedes Hincapié-Otero ◽  
Andrey Joaqui-Joaqui
Keyword(s):  
Organic Molecules ◽  
2D Nmr ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir ◽  
Multistep Procedure ◽  
Good Agreement ◽  
Ft Ir Spectroscopy

N-acylhydrazones 2-(4-chlorophenyl)-N0 -(2-hydroxybenzylidene)acetohydrazide, N0 -(2-hydroxybenzylidene)-2-(4-methoxyphenyl)acetohydrazide, 2-(4-chlorophenyl)-N0 -(2,4-dihydroxybenzylidene)-acetohydrazide, and N0 -(2,4-dihydroxybenzylidene)-2-(4-methoxyphenyl)acetohydrazide were successfully synthesized by a multistep procedure. The obtained organic molecules were characterized by spectroscopic techniques (FT-IR, 1D and 2D NMR, UV-Vis) and mass spectrometry. The structure of 2-(4-chlorophenyl)-N0 -(2-hydroxybenzylidene)acetohydrazide was also confirmed by X-ray diffraction. Ab initio computational simulations of the ligand spectra were in good agreement with experimental data and validated the hypothesis about the existence of a conformational mixture of each ligand in solution. Finally, the complexation potential of the synthesized ligands to Cu2+ was assessed by continuous variation experiments and FT-IR spectroscopy.

scholarly journals Multidimensional Ln-Aminophthalate Photoluminescent Coordination Polymers

Materials ◽  
2021 ◽  
Vol 14 (7) ◽  
pp. 1786
Author(s):  
Carla Queirós ◽  
Chen Sun ◽  
Ana M. G. Silva ◽  
Baltazar de Castro ◽  
Juan Cabanillas-Gonzalez ◽  
...  
Keyword(s):  
Water Content ◽  
Coordination Polymers ◽  
Metal Ion ◽  
Low Cost ◽  
Microwave Assisted Synthesis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Wide Range ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

The development of straightforward reproducible methods for the preparation of new photoluminescent coordination polymers (CPs) is an important goal in luminescence and chemical sensing fields. Isophthalic acid derivatives have been reported for a wide range of applications, and in addition to their relatively low cost, have encouraged its use in the preparation of novel lanthanide-based coordination polymers (LnCPs). Considering that the photoluminescent properties of these CPs are highly dependent on the existence of water molecules in the crystal structure, our research efforts are now focused on the preparation of CP with the lowest water content possible, while considering a green chemistry approach. One- and two-dimensional (1D and 2D) LnCPs were prepared from 5-aminoisophthalic acid and Sm3+/Tb3+ using hydrothermal and/or microwave-assisted synthesis. The unprecedented LnCPs were characterized by single-crystal X-ray diffraction (SCRXD), powder X-ray diffraction (PXRD), Fourier transform infrared (FT-IR) spectroscopy and scanning electron microscopy (SEM), and their photoluminescence (PL) properties were studied in the solid state, at room temperature, using the CPs as powders and encapsulated in poly(methyl methacrylate (PMMA) films, envisaging the potential preparation of devices for sensing. The materials revealed interesting PL properties that depend on the dimensionality, metal ion, co-ligand used and water content.

Hydrothermal synthesis, crystal structure and properties of a two-dimensional uranyl coordination polymer based on a flexible zwitterionic ligand

2018 ◽  
Vol 74 (3) ◽  
pp. 366-371 ◽  
Author(s):  
Wen Cui ◽  
Ruyu Wang ◽  
Xi Shu ◽  
Yu Fan ◽  
Yang Liu ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Hydrothermal Reaction ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Uranyl Compounds ◽  
X Ray ◽  
Potential Applications ◽  
Ft Ir ◽  
Fuel Reprocessing ◽  
Ft Ir Spectroscopy

The interaction between the uranyl cation, (UO2)2+, and organic species is of interest due to the potential applications of the resulting compounds with regard to nuclear waste disposal and nuclear fuel reprocessing. The hydrothermal reaction of various uranyl compounds with flexible zwitterionic 1,1′-[1,4-phenylenebis(methylene)]bis(pyridin-1-ium-4-carboxylate) dihydrochloride (Bpmb·2HCl) in deionized water containing drops of H2SO4resulted in the formation of a novel two-dimensional uranyl coordination polymer, namely poly[tetraoxido{μ2-1,1′-[1,4-phenylenebis(methylene)]bis(pyridin-1-ium-4-carboxylate)}di-μ3-sulfato-diuranium(VI)], [(UO2)2(SO4)2(C20H16N2O4)]n, (1). Single-crystal X-ray diffraction reveals that this coordination polymer exhibits a layered arrangement and the (UO2)2+centre is coordinated by five equatorial O atoms. The structure was further characterized by FT–IR spectroscopy, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). The polymer shows high thermal stability up to 696 K. Furthermore, the photoluminescence properties of (1) has also been studied, showing it to exhibit a typical uranyl fluorescence.

scholarly journals The Bio-fabrication of Gold Nanoparticles (AuNPs) by Green Method and Study of its Electrochemical Applications

2020 ◽  
Vol 1 (4) ◽  
pp. 22-25
Author(s):  
Azwan Morni
Keyword(s):  
Gold Nanoparticles ◽  
Ir Spectroscopy ◽  
Face Centered Cubic ◽  
X Ray Diffraction ◽  
Green Method ◽  
Oh Groups ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

This study reports a green method for the synthesis of gold nanoparticles (AuNPs) using the aqueous extract of Salix aegyptiaca extract. The effects of gold salt concentration, extract concentration and extract quantity were investigated on nanoparticles synthesis. Novel methods of ideally synthesizing AuNPs are thus thought that are formed at ambient temperatures, neutral pH, low costs and environmentally friendly fashion. AuNPs were characterized with different techniques such as UV–vis spectroscopy, FT-IR spectroscopy, X-ray diffraction, and TEM. FT-IR spectroscopy revealed that gold nanoparticles were functionalized with biomolecules that have primary carbonyl group, -OH groups and other stabilizing functional groups. TEM experiments showed that these nanoparticles are formed with various shapes and X-ray diffraction pattern showed high purity and face centered cubic structure of AuNPs. For electrochemical properties of AuNPs, a modified glassy carbon electrode using AuNPs (AuNPs/GCE) was investigated. The results show that electronic transmission rate between the modified electrode and [Fe (CN)6]3-/4- increased.

Synthesis, Characterization and X-Ray Crystal Structure of the New Schiff Base and Anticandidal Evaluation

2019 ◽  
Vol 41 (6) ◽  
pp. 1090-1090
Author(s):  
Mehmet Poyraz Mehmet Poyraz ◽  
Musa Sari Musa Sari ◽  
Halil Berber Halil Berber ◽  
Nursenem Karaca and Fatih Demirci Nursenem Karaca and Fatih Demirci
Keyword(s):  
Schiff Base ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray ◽  
Microdilution Method ◽  
Broth Microdilution Method ◽  
Ft Ir ◽  
Anticandidal Activity ◽  
Crystal Structural

A new Schiff base, namely 2-methoxy-6-((2-(4 nitrophenyl) hydrazineylidene) methyl)phenol was synthesized and characterized by melting points, elemental analysis, thermogravimetric analysis and spectroscopic techniques (FT-IR, 1H-NMR and UV-VIS spectra). The chemical structure of compound was further confirmed by single crystal structural X-ray diffraction. The Schiff base is crystallized in the triclinic space group P-1. In the crystal, molecules are linked by O-H…O hydrogen bonds between the hydroxy “-O-” atom and the methoxy “-O-” atom. Furthermore, the synthesized Schiff base was tested for the in vitro anticandidal activities using CLSI broth microdilution method against human pathogenic Candida albicans, C. parapsilosis and C. krusei standard strains. In the anticandidal activity test results, the new Schiff base was found to be effective at 1 mg/mL - 0.25 mg/mL concentrations. (The last line omitted) (The sentence marked in red will be deleted)

Ball-Milling Stimulated Mechanochemical Processes in the System “Titanium-Toluene”

2019 ◽  
Vol 946 ◽  
pp. 351-356 ◽  
Author(s):  
Olga M. Kanunnikova ◽  
V.V. Aksenova ◽  
G.A. Dorofeev
Keyword(s):  
Ball Milling ◽  
Mechanical Energy ◽  
High Energy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Liquid Phases ◽  
Ft Ir ◽  
Titanium Powders ◽  
Solid Phases ◽  
Ft Ir Spectroscopy

The present work deals with the investigation of the transformations of the solid and liquid phases at high energy planetary ball milling of toluene together with titanium powder. The sequence of structural toluene transformations using FT-IR spectroscopy was investigated. Phase constitutions and morphology of ball milled titanium powders were studied by X-ray diffraction and scanning electron microscopy. It is shown that mechanically induced destruction of toluene occurs by the mechanism of catalytic cracking. During ball milling, concentration of aromatic hydrocarbons in the liquid phase decreases, at the same time the content of alkenes, cycloalkanes, and isoalkanes increases. The main solid products of the mechanosynthesis were cubic and hexagonal titanium carbo-hydrides.Evolution of lattice parameters, crystallites sizes, and micro-stresses of the solid phases during ball milling as a function of the mechanical energy dose have been discussed.

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