Synthesis, X-ray structure, FT-IR, NMR (13C/1H), UV–Vis spectroscopy, TG/DTA study and DFT calculations on 2-(benzo[d]thiazol-2-ylthio)-1-((1s, 3s)-3-mesityl-3-methylcyclobutyl) ethan-1-one

2018 ◽  
Vol 1173 ◽  
pp. 148-156 ◽  
Author(s):  
Ersin İnkaya
Keyword(s):  
Dft Calculations ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Ft Ir

scholarly journals Mesoionic tetrazolium-5-aminides: Synthesis, Molecular and Crystal Structures, UV-Vis Spectra, and DFT Calculations

2020 ◽  
Author(s):  
Vladislav A Budevich ◽  
Sergei V Voitekhovich ◽  
Alexander V Zuraev ◽  
Vadim E Matulis ◽  
Vitaly E Matulis ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Quantum Chemical ◽  
Spectral Features ◽  
Dsc Analysis ◽  
X Ray ◽  
Tetrazolium Salts ◽  
Vis Spectroscopy ◽  
Ft Ir ◽  
Methyl Derivatives ◽  
Molecular And Crystal Structures

Tetrazolium-5-aminides have been prepared by tert-butylation of 5-aminotetrazole and its N-methyl derivatives by t-BuOH/HClO4 system followed by treatment of tetrazolium salts by alkali. These mesoionic compounds have been found to show higher reactivity of exocyclic N atom in comparison with 5-aminotetrazoles. They react with 1,2-dibromoethane and 5-(methylsulfonyl)-1-phenyl-1H-tetrazole and substitute bromine and methylsulfonyl groups giving tetrazolium salts or conjugate aminides. Obtained mesoionic tetrazoles have been characterized by elemental analysis, FT-IR, NMR and UV-Vis spectroscopy, TGA/DSC analysis and for 1,3-di-tert-butyltetrazolium-5-aminide, it’s N,N’-ethylene bridged bis-derivative and (1,3-di-tert-butyl-1H-tetrazol-3-ium-5-yl)(1-phenyl-1H-tetrazol-5-yl)amide by single crystal X-ray analysis. Structural and spectral features of tetrazolium-5-aminides are discussed by using quantum-chemical calculations.

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.

scholarly journals Optical, Structural and Electrical Properties of Electrochemical Synthesis of Thin Film of Polyaniline

2018 ◽  
Vol 15 (1) ◽  
pp. 73-80 ◽  
Author(s):  
Baghdad Science Journal
Keyword(s):  
X Ray Diffraction ◽  
X Ray ◽  
Force Microscopy ◽  
Morphological Studies ◽  
Atomic Force ◽  
Vis Spectroscopy ◽  
Structural And Electrical Properties ◽  
A Cell ◽  
Ft Ir ◽  
Ir And Raman

Polyaniline membranes of aniline were produced using an electrochemical method in a cell consisting of two poles. The effect of the vaccination was observed on the color of membranes of polyaniline, where analysis as of blue to olive green paints. The sanction of PANI was done by FT-IR and Raman techniques. The crystallinity of the models was studied by X-ray diffraction technique. The different electronic transitions of the PANI were determined by UV-VIS spectroscopy. The electrical conductivity of the manufactured samples was measured by using the four-probe technique at room temperature. Morphological studies have been determined by Atomic force microscopy (AFM). The structural studies have been measured by (SEM).

scholarly journals Tautomerism and Self-Association in the Solution of New Pinene-Bipyridine and Pinene-Phenanthroline Derivatives

Molecules ◽  
2020 ◽  
Vol 25 (2) ◽  
pp. 298
Author(s):  
Atena B. Solea ◽  
Ivan Cornu ◽  
Vera Deneva ◽  
Aurelien Crochet ◽  
Katharina M. Fromm ◽  
...  
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Structure Determination ◽  
Tautomeric Equilibrium ◽  
Dft Studies ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Self Association

Two novel pinene-type ligands have been synthesized and their tautomeric and self-associating behavior studied in solution and in the solid state. The first ligand, an acetylated derivative of 5,6-pinene-bipyridine, displays keto-enol tautomerism in solution. This tautomeric equilibrium was studied by NMR and UV-Vis spectroscopy in various solvents, and the results were compared with the ones obtained through DFT calculations. The second ligand was obtained by an unusual oxidation of the phenanthroline unit of a pinene-phenanthroline derivative. This compound exists as a single tautomer in solution and aggregates both in solution (as observed by NMR) and in the solid state through H-bonding as observed by X-ray structure determination and confirmed by DFT studies.

scholarly journals Synthesis, Crystal Structures, and Spectroscopic Characterization of Bis-aldehyde Monomers and Their Electrically Conductive Pristine Polyazomethines

Polymers ◽  
2019 ◽  
Vol 11 (9) ◽  
pp. 1498 ◽  
Author(s):  
Abdul Hafeez ◽  
Zareen Akhter ◽  
John F. Gallagher ◽  
Nawazish Ali Khan ◽  
Asghari Gul ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Spectroscopic Characterization ◽  
Spectroscopic Techniques ◽  
Conductivity Measurements ◽  
X Ray Diffraction ◽  
Electrically Conductive ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Ft Ir

Bis-aldehyde monomers 4-(4′-formyl-phenoxy)benzaldehyde (3a), 3-methoxy-4-(4′-formyl-phenoxy)benzaldehyde (3b), and 3-ethoxy-4-(4′-formyl-phenoxy)benzaldehyde (3c) were synthesized by etherification of 4-fluorobenzaldehyde (1) with 4-hydroxybenzaldehyde (2a), 3-methoxy-4-hydroxybenzaldehyde (2b), and 3-ethoxy-4-hydroxybenzaldehyde (2c), respectively. Each monomer was polymerized with p-phenylenediamine and 4,4′-diaminodiphenyl ether to yield six poly(azomethine)s. Single crystal X-ray diffraction structures of 3b and 3c were determined. The structural characterization of the monomers and poly(azomethine)s was performed by FT-IR and NMR spectroscopic techniques and elemental analysis. Physicochemical properties of polymers were investigated by powder X-ray diffraction, thermogravimetric analysis (TGA), viscometry, UV–vis, spectroscopy and photoluminescence. These polymers were subjected to electrical conductivity measurements by the four-probe method, and their conductivities were found to be in the range 4.0 × 10−5 to 6.4 × 10−5 Scm−1, which was significantly higher than the values reported so far.

Structure of 5-benzoyl-4-phenyl-2-chloropyrimidine studied by X-ray diffraction, DFT calculations, NMR and FT-IR spectra

2012 ◽  
Vol 1030 ◽  
pp. 1-9 ◽  
Author(s):  
Ersin İnkaya ◽  
Muharrem Dinçer ◽  
Emine Şahan ◽  
İsmail Yıldırım ◽  
Orhan Büyükgüngör
Keyword(s):  
Dft Calculations ◽  
Ir Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir

SYNTHESIS OF GRAPHITE OXIDE (GO)/Cu2O NANOCOMPOSITE AND ITS CATALYTIC PERFORMANCE UNDER THE ULTRASOUND

NANO ◽  
2013 ◽  
Vol 08 (03) ◽  
pp. 1350032 ◽  
Author(s):  
CHUNNIAN CHEN ◽  
CHENWEI YU ◽  
WEN FU
Keyword(s):  
Fourier Transform ◽  
Electrostatic Interactions ◽  
Catalytic Performance ◽  
X Ray ◽  
Selective Area ◽  
Transmission Electron ◽  
Vis Spectroscopy ◽  
Ft Ir ◽  
Ir And Raman ◽  
Selective Area Electron Diffraction

GO/ Cu2O nanocomposite had been successfully synthesized by electrostatic interactions method. X-ray powder diffraction (XRD), transmission electron microscope (TEM), selective-area electron diffraction (SAED), Fourier transform infrared spectroscopy (FT-IR) and Raman spectra confirmed the structure of the Cu2O and GO/ Cu2O nanocomposite. The catalytic degradation of Rhodamine B under the condition of ultrasound was investigated and the result of UV-Vis spectroscopy demonstrated that the nanocomposite can efficiently degraded it.

scholarly journals Studies on the growth and characterization of L-cysteine hydrogen fluoride single crystal

2019 ◽  
Vol 37 (3) ◽  
pp. 304-309
Author(s):  
Azeezaa Varsha Mohammed ◽  
Suresh Sagadevan
Keyword(s):  
Single Crystal ◽  
Hydrogen Fluoride ◽  
Grown Crystal ◽  
Optical Band Gap ◽  
Second Harmonic ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Ft Ir

AbstractL-cysteine hydrogen fluoride (LCHF) single crystals were grown from aqueous solution. Single crystal X-ray diffraction, FT-IR, UV-Vis-NIR, and TG-DTA were used to test the grown crystals. The specimen dielectric and mechanical behaviors were also studied. Powder X-ray diffraction of the grown crystal was recorded and indexed. The optical properties of the LCHF crystal were determined using UV-Vis spectroscopy. It was found that the optical band gap of LCHF was 4.8 eV. The crystal functional groups were identified using FT-IR. Second harmonic generation (SHG) efficiency of the LCHF was three times higher than that of KDP. The dielectric constant, dielectric loss and AC conductivity were measured at different frequencies and temperatures.

Structurally characterized homo-trinuclear ZnII and hetero-pentanuclear [ZnII4LnIII] complexes constructed from an octadentate bis(Salamo)-based ligand: Hirshfeld surfaces, fluorescence and catalytic properties

2019 ◽  
Vol 43 (11) ◽  
pp. 4605-4619 ◽  
Author(s):  
Xiao-Yan Li ◽  
Quan-Peng Kang ◽  
Chang Liu ◽  
Yang Zhang ◽  
Wen-Kui Dong
Keyword(s):  
Catalytic Properties ◽  
Hirshfeld Surface ◽  
Fluorescence Properties ◽  
X Ray ◽  
Catalytic Activities ◽  
X Ray Crystallography ◽  
Hirshfeld Surfaces ◽  
Vis Spectroscopy ◽  
Elemental Analyses ◽  
Ft Ir

One 3d and five 3d-4f complexes were synthesized. Complexes 1–6 were characterized via elemental analyses, FT-IR, UV-Vis spectroscopy and X-ray crystallography, and their fluorescence properties, catalytic activities and Hirshfeld surface analyses were studied.

Dimerization of indenocorannulene radicals: imposing stability through increasing strain and curvature

2020 ◽  
Vol 7 (22) ◽  
pp. 3591-3598 ◽  
Author(s):  
Andrey Yu. Rogachev ◽  
Yikun Zhu ◽  
Zheng Zhou ◽  
Shuyang Liu ◽  
Zheng Wei ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vis Spectroscopy ◽  
Electron Reduction

One-electron reduction of bowl-shaped indenocorannulene affords a new stable dimeric dianion, as confirmed by single-crystal X-ray diffraction, NMR and UV-vis spectroscopy, and DFT calculations.

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