Experimental and theoretical studies on the structure and spectroscopic properties of N-scorpionate complexes obtained from metallic cobalt in a one pot synthesis

Polyhedron ◽  
2015 ◽  
Vol 95 ◽  
pp. 60-68 ◽  
Author(s):  
Anna Adach ◽  
Marek Daszkiewicz ◽  
Boleslaw Barszcz
Keyword(s):  
Spectroscopic Properties ◽  
Theoretical Studies ◽  
Metallic Cobalt ◽  
One Pot ◽  
One Pot Synthesis ◽  
Experimental And Theoretical Studies

Adsorption of diclofenac on a magnetic adsorbent based on maghemite: experimental and theoretical studies

2018 ◽  
Vol 42 (1) ◽  
pp. 437-449 ◽  
Author(s):  
V. O. Leone ◽  
M. C. Pereira ◽  
S. F. Aquino ◽  
L. C. A. Oliveira ◽  
S. Correa ◽  
...  
Keyword(s):  
Theoretical Studies ◽  
Maghemite Nanoparticles ◽  
Magnetic Adsorbent ◽  
One Pot ◽  
One Pot Synthesis ◽  
Experimental And Theoretical Studies

Maghemite nanoparticles synthesized by one-pot synthesis adsorb diclofenac efficiently.

Experimental and theoretical studies of solvent polarity influence on the preparation of molecularly imprinted polymers for the removal of estradiol from water

2019 ◽  
Vol 43 (4) ◽  
pp. 1775-1784 ◽  
Author(s):  
Leandro Pablo dos Santos Xavier ◽  
Ana Carolina Dias ◽  
Bruno Eduardo Lobo Baeta ◽  
Lucas de Azevedo Santos ◽  
Teodorico Castro Ramalho ◽  
...  
Keyword(s):  
Molecularly Imprinted Polymers ◽  
Solvent Polarity ◽  
Theoretical Studies ◽  
One Pot ◽  
Molecularly Imprinted ◽  
Imprinted Polymers ◽  
One Pot Synthesis ◽  
Experimental And Theoretical Studies

Molecularly imprinted polymers synthesized by one-pot synthesis absorb β-estradiol quinoline efficiently and selectively.

Experimental and theoretical studies on the structure and spectroscopic properties of (E)-1-(2-aminophenyl)-3-(pyridine-4-yl) prop-2-en-1-one

2015 ◽  
Vol 1098 ◽  
pp. 216-228 ◽  
Author(s):  
Andrés Felipe Cruz Ortiz ◽  
Alberto Sánchez López ◽  
Alejandro García Ríos ◽  
Fernando Cuenú Cabezas ◽  
Ciro Eduardo Rozo Correa
Keyword(s):  
Spectroscopic Properties ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

Experimental and theoretical studies of spectroscopic properties of simple symmetrically substituted diphenylbuta-1,3-diyne derivatives

2015 ◽  
Vol 14 (12) ◽  
pp. 2251-2260 ◽  
Author(s):  
Małgorzata Wierzbicka ◽  
Irena Bylińska ◽  
Artur Sikorski ◽  
Cezary Czaplewski ◽  
Wiesław Wiczk
Keyword(s):  
Photophysical Properties ◽  
Spectroscopic Properties ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

A series of symmetrically substituted diphenylbuta-1,3-diyne (DPB) derivatives possessing electron-donating or electron-accepting groups have been prepared and studied with emphasis on their spectral and photophysical properties.

Structural and spectroscopic properties of econazole and sulconazole – Experimental and theoretical studies

2016 ◽  
Vol 1119 ◽  
pp. 250-258 ◽  
Author(s):  
Jacek Kujawski ◽  
Kornelia Czaja ◽  
Elżbieta Jodłowska ◽  
Katarzyna Dettlaff ◽  
Marta Politańska ◽  
...  
Keyword(s):  
Spectroscopic Properties ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

One-pot synthesis and study of spectroscopic properties of oligo(phenylenevinylene)s

2015 ◽  
Vol 56 (47) ◽  
pp. 6617-6621 ◽  
Author(s):  
Krupa N. Patel ◽  
Ashutosh V. Bedekar
Keyword(s):  
Spectroscopic Properties ◽  
One Pot ◽  
One Pot Synthesis

Experimental and Theoretical Studies on the Structural and Vibrational Spectra of Schiff Base and Their Complex

2019 ◽  
Vol 8 (1) ◽  
pp. 47-55
Author(s):  
Hadjer Far ◽  
Tahar Benaissa ◽  
Abdelhak Mohamed Touadjine ◽  
Asma Mostefai ◽  
Sofiane Daoudi ◽  
...  
Keyword(s):  
Schiff Base ◽  
Nmr Spectroscopy ◽  
Frequency Analysis ◽  
Electronic Structures ◽  
Vibrational Frequency ◽  
Spectroscopic Properties ◽  
Point Of View ◽  
Basis Set ◽  
Theoretical Studies ◽  
Experimental And Theoretical Studies

The synthesis of 5,5 '- (ethane-1,2-diylbis (azaneylylidene)) bis (3-undecyl-1,5-dihydro-4H-1,2,4-triazol-4-amine) and its Co (II) complex was carried out, and their structural spectroscopic properties were determined. The mode of bonding for the complexes was accomplished based on the elemental analysis, IR, UV-Vis, and NMR spectroscopy. Electronic structures and spectroscopic properties of the title compound were investigated from the calculative point of view. DFT/B3LYP optimization was performed based on the 6–31++G(d,p) basis set. In addition, the vibrational frequency analysis was performed with the optimized geometry at the same level of theory.

scholarly journals One-Pot Synthesis, X-ray Single Crystal and Molecular Insight of Enaminone-Based β-Morpholino-/N-Methylpiperazinyl-/Pyrrolidinylpropiophenone

Crystals ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 282
Author(s):  
Assem Barakat ◽  
Saied M. Soliman ◽  
Matti Haukka ◽  
Abdullah Mohammed Al-Majid ◽  
Mohammad Shahidul Islam ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Spectroscopic Properties ◽  
Secondary Amines ◽  
Dft Studies ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
One Pot Synthesis ◽  
Hirshfeld Analysis

One-pot synthesis of three enaminones, (E)-1-(4-chlorophenyl)-3-morpholinoprop-2-en-1-one 1, (E)-1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-en-1-one 2, and (E)-1-(4-chlorophenyl)-3-(pyrrolidin-1-yl)prop-2-en-1-one 3 were achieved. The synthetic protocol via three components reaction of p-chloroacetophenone with DMFDMA (N,N-dimethylformamid-dimethylacetal) and the corresponding secondary amines (morpholine/N-methylpiperazine/pyrrolidine) in dioxane under heating for 2.5–4 h at 102 °C yielded the requisite enaminones. This protocol has the advantage of no separation of intermediate, no need for column purification with quantitative yield for the target compounds. The chemical features of the β-enaminones 1–3 were assigned by NMR. β-Enaminones 1, and 2 were assigned by single crystal X-ray diffraction technique. The intermolecular interactions in the crystal structures were analyzed quantitatively using Hirshfeld analysis. The Cl…H and O…H hydrogen bonds are common in both compounds while the C-H…π and N…H contacts are more significant in 2 than 1. DFT studies were investigated to show the electronic and spectroscopic properties (NMR and UV-Vis) of the studied systems.

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