scholarly journals Spectroscopic studies on the potassium 1-fluorobenzoyltrifluoroborate salt by using the FT-IR, Raman and UV–Visible spectra and DFT calculations

2020 ◽  
Vol 1204 ◽  
pp. 127534 ◽  
Author(s):  
Maximiliano A. Iramain ◽  
Ana E. Ledesma ◽  
Elizabeth Imbarack ◽  
Patricio Leyton Bongiorno ◽  
Silvia Antonia Brandán
Keyword(s):  
Dft Calculations ◽  
Spectroscopic Studies ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible

scholarly journals Synthesis and Bioassay of Novel Quinozolins

2019 ◽  
Vol 17 (72) ◽  
pp. 129-138
Author(s):  
Yasmine Kadom. Al-Majedy
Keyword(s):  
Twist Angle ◽  
Antimicrobial Properties ◽  
Heat Of Formation ◽  
Gram Negative Bacteria ◽  
The Novel ◽  
Gram Positive Bacteria ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible

Novel Quinozolins were synthesized in a good yield through convert lacton to lactam and study the biological activity of the synthesized compounds. Quinozolins were characterized by elemental analysis, FT-IR and UV/visible spectra. The novel Quinozolins have been tested in vitro against (gram positive bacteria Staphylococcus aureus and against other gram negative bacteria, such as Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, and Proteus vulgaris; in order to assess their antimicrobial properties. Moreover, charge, bond length, bond angle, twist angle, heat of formation and steric energy were calculated by using of the ChemOffice program. The study indicates that these Quinozolins have high activity against tested bacteria. Based on the reported results, it may be concluded that the coumarin act as synthons for synthesis of new Quinozolins derivatives through the replacement of oxygen atom by nitrogen atom.

scholarly journals Preparation and Spectral Study of New Complexes of Some Metal Ions with 3,5-Dimethyl-1H-Pyrazol-1-yl Phenyl Methanone

2011 ◽  
Vol 8 (4) ◽  
pp. 1005-1011
Author(s):  
Baghdad Science Journal
Keyword(s):  
Magnetic Susceptibility ◽  
Elemental Analysis ◽  
Room Temperature ◽  
Molar Conductivity ◽  
The Other ◽  
Octahedral Structure ◽  
Tetrahedral Structure ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible

Many complexes of 3,5-dimethyl-1H-pyrazol-1-yl phenyl methanone with Cr(III), Co(II), Ni(II), Cu(II) and Cd(II) were synthesized and characterized by FT-IR, UV/visible spectra, elemental analysis, room temperature magnetic susceptibility and molar conductivity. Cd(II) complex was expected to have tetrahedral structure while all the other complexes were expected to have an octahedral structure.

scholarly journals Design, Synthesis, Spectral and Theoretical Studies of Some Picrates

2019 ◽  
Vol 32 (1) ◽  
pp. 174-182
Author(s):  
S. Amala ◽  
G. Rajarajan ◽  
E. Dhineshkumar ◽  
M. Arockia doss ◽  
V. Thanikachalam
Keyword(s):  
Geometrical Parameters ◽  
Slight Effect ◽  
Design Synthesis ◽  
1H And 13C Nmr ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible ◽  
Small Change ◽  
Experimental Values ◽  
Good Agreement

The structures of newly synthesized compounds (1-3) viz. 3-ethyl-5-methyl-2,6-bis(4- chlorophenyl)piperidin-1-ium picrate (1), 3-ethyl-5-methyl-2,6-bis(4-methylphenyl)piperidin-1-ium picrate (2) and 3-ethyl-5-methyl-2,6-bis(3,4-dimethoxyphenyl)piperidin-1-ium picrate (3) were confirmed by elemental analysis, FT-IR, 1H and 13C NMR. The UV-visible spectra, fluoresence, emission properties of synthesized 1-3 in different solvents were studied. Compounds 1-3 solvatochromic displays a slight effect of the emission and absorption spectrum, indicating a small change in the dipole moment upon excitation of compounds 1-3. All the compounds were investigated by DFT. The theoretical geometrical parameters are in good agreement with experimental values.

Methanobactin-Mediated One-Step Synthesis of Palladium Nanoparticles

NANO ◽  
2016 ◽  
Vol 11 (06) ◽  
pp. 1650064 ◽  
Author(s):  
Jia-Ying Xin ◽  
Hong-Chen Fan ◽  
Sheng-Fu Ji ◽  
Yan Wang ◽  
Chun-Gu Xia
Keyword(s):  
Photoelectron Spectroscopy ◽  
Palladium Nanoparticles ◽  
Fluorescence Spectra ◽  
Copper Binding ◽  
Secondary Nucleation ◽  
Visible Spectra ◽  
One Step ◽  
Ft Ir ◽  
Uv Visible ◽  
The One

The development of palladium nanoparticles (PdNPs) with a narrow size distribution is an important aspect of nanotechnology. Methanobactin (Mb) is a copper-binding small peptide that appears to function as an agent for copper sequestration and uptake in methanotrophs. Here, Mb was shown to bind and catalytically reduce Pd (II) to Pd (0). The one-step synthesis of monodisperse PdNPs using Mb as both coordination agent and reduction agent is reported. Fluorescence spectra, UV-visible spectra, X-ray photoelectron spectroscopy (XPS) and Fourier transform-infrared spectroscopy (FT-IR) suggested that the Mb molecules catalytically reduce Pd (II) to Pd (0) with the concomitant production of PdNPs. The Mb is then adsorbed onto the surface of the PdNPs to form an Mb–PdNPs coordination compound. This avoids secondary nucleation. The PdNPs are small with high monodispersity and are easily synthesized in Mb solution. The PdNPs were extremely stable and resisted aggregation even after several months.

Cellulose Nanofiber as Potential Absorbent Material for Chloride Ion

2021 ◽  
Vol 317 ◽  
pp. 263-269
Author(s):  
Muhammad Syukri Mohamad Misenan ◽  
Nurjahirah Janudin ◽  
Mas Amira Idayu ◽  
Mohd Nor Faiz Norrrahim ◽  
Siti Hasnawati Jamal ◽  
...  
Keyword(s):  
Low Cost ◽  
Cellulose Nanofibers ◽  
Chloride Ion ◽  
Absorption Capacity ◽  
Visible Spectra ◽  
Ft Ir ◽  
Uv Visible ◽  
Hcl Concentration ◽  
Hcl Solution

A simple, low cost and rapid analytical method for determination of HCl concentration after being treated with cellulose and cellulose nanofibers (CNF) is developed. This method is based on color intensity after the HCl solution is doped with sodium iodide (NaI). The color of HCl solution changes from colorless to yellow. The intensity of the color is measured by UV – Visible spectroscopy. The UV-Visible spectra of 0.15 M HCl treated with cellulose and cellulose nanofibers is reduced from its initial concentration. The CNF absorption capacity is higher as compared to cellulose. FT-IR analysis showed that there is interaction between C-H group from the CNF backboned and chloride ion from HCl solution.

Pyridone substituted phthalocyanines: Photophysico-chemical properties and TD-DFT calculations

2018 ◽  
Vol 22 (01n03) ◽  
pp. 25-31 ◽  
Author(s):  
Şaziye Abdurrahmanoğlu ◽  
Mevlüde Canlıca ◽  
John Mack ◽  
Tebello Nyokong
Keyword(s):  
Electronic Structure ◽  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Chemical Properties ◽  
Quantum Yields ◽  
Visible Absorption ◽  
H Nmr ◽  
Td Dft ◽  
Ft Ir ◽  
Uv Visible

4-(6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yloxy)phthalonitrile has been used to prepare a novel Zn(II) phthalocyanines with four peripheral pyridone substituents. The compound has been characterized by UV-visible absorption, FT-IR and [Formula: see text]H-NMR spectroscopy, elemental analysis and MALDI-TOF mass spectroscopy. The fluorescence, triplet quantum and singlet oxygen quantum yields have been determined and TD-DFT calculations have been used to identify trends in the electronic structure.

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