Chemistry Journal of Moldova

Physical chemistry and chemical physics

ANODIC OXIDATION OF SULPHITE IN ALKALINE MEDIA ON PLATINUM NANOPARTICLES MODIFIED NICKEL ELECTRODE

Author(s):

Andreea-Floriana Enache, Mircea Laurentiu Dan, Nicolae Vaszilcsin


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2017 Volume 12, no.1
Pages: 102-109
Keywords: sulphite anodic oxidation, smooth nickel, platinum nanoparticles, chrono-electrochemical methods.
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DOI: dx.doi.org/10.19261/cjm.2017.408   
 
Abstract (PDF)
Graphical Abstract:
 In this paper, anodic oxidation of sulphite ions on smooth nickel based 6 layers platinum nanoparticles electrode in aqueous alkaline solution was investigated in order to clarify the oxidation mechanism and to find optimal parameters for sulphite oxidation process, by applying various electrochemical methods of analysis.

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ION EXCHANGE PROPERTIES OF GEORGIAN NATURAL ZEOLITES

Author(s):

Vladimer Tsitsishvili, Nanuli Dolaberidze, Spartak Urotadze, Maia Alelishvili, Nato Mirdzveli, Manana Nijaradze


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2017 Volume 12, no.1
Pages: 95-101
Keywords: ion exchange, analcime, phillipsite, scolecite
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DOI: dx.doi.org/10.19261/cjm.2017.413
 
Abstract (PDF)
Graphical Abstract:
 Ion-exchange properties of natural zeolites of Georgia with a relatively low Si/Al ratio have been studied: analcimes are characterized  by selectivity series: Na+>K+>Ag+>NH4+>Ca+2>Sr+2>Li+; for phillipsites selectivity sequences are different for calcium- and potassium forms; selectivity sequence for scolecite is: Sr+2>Ba+2>Rb+>Ca+2>Cs+>K+>NH4+>Na+>Mg+2>Li+>Cd+2>Cu+2> Mn+2> Zn+2>Co+2>Ni+2.

 

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A NOVEL GREEN SYNTHESIS OF NICKEL OXIDE NANOPARTICLES USING ARABIC GUM

Author(s):

Saeid Taghavi Fardood, Ali Ramazani, Sajjad Moradi


Field: Physical chemistry and chemical physics
Type: Short communication
Issue: 2017 Volume 12, no.1
Pages: 115-118
Keywords: NiO, Arabic gum, biosynthesis, sol-gel, nanoparticles.
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DOI: dx.doi.org/10.19261/cjm.2017.383  
 
Abstract (PDF)
Graphical Abstract: Present work involves synthesis of NiO nanoparticles using Arabic gum by the sol-gel method. The synthesized NiO nanoparticles were characterized by Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM) and X-ray powder diffraction (XRD). It was shown that the synthesized NiO nanoparticles of cubic phase have a spherical shape and an average size of 34 nm.

 

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REUSE OF EXPIRED CEFORT DRUG IN NICKEL ELECTRODEPOSITION FROM WATTS BATH

Author(s):

Delia-Andrada Duca, Mircea Laurentiu Dan, Nicolae Vaszilcsin


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2017 Volume 12, no.1
Pages: 87-94
Keywords: expired Cefort® drug, electroplating additive, nickel electrodeposition, Watts bath.
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DOI
: dx.doi.org/10.19261/cjm.2017.402
 
Abstract (PDF)
Graphical Abstract: 
This paper demonstrates the possibility to use ceftriaxone (CEFTR) active compound from expired Cefort®as additive in nickel electrodeposition from Watts baths. Electrochemical behaviour and the influence of CEFTR on nickel electroplating were studied by electrochemical methods. Experimental data recommends CEFTR as additive in nickel electroplating from Watts baths.

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REMOVAL OF METHYLENE BLUE BY ADSORPTION ONTO RETAMA RAETAM PLANT: KINETICS AND EQUILIBRIUM STUDY

Author(s):

Dalila Badis, Zoubir Benmaamar, Othmane Benkortbi, Houcine Boutoumi, Houria Hamitouche, Amele Aggoun


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.2
Pages: 74-83
Keywords: Retama raetam, methylene blue, removal, modelling, adsorption.
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DOI:
dx.doi.org/10.19261/cjm.2016.11(2).10
 
Abstract (PDF)
Graphical Abstract: The feasibility of using Retama raetam, for the cationic dye (methylene blue) adsorption from simulated aqueous solution, has been investigated as a low cost and an eco-friendly adsorbent. The methylene blue maximum adsorption occurred at pH 8 and the lowest adsorption occurred at pH 2. The apparent equilibrium was reached after 120 min. Adsorption modelling parameters for Freundlich and Langmuir isotherms were determined and, based on R2, various error distribution functions.

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TOPOLOGICAL ANALYSIS AND FREQUENCY DEPENDENT HYPERPOLARIZABILITY CALCULATIONS OF FDDNP: A DFT STUDY

Author(s):

Keivan Akhtari, Keyumars Hassanzadeh, Bahareh Fakhraei, Ghazal Akhtari


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.2
Pages: 84-92
Keywords: second-harmonic generation, FDDNP, near-infrared, QTAIM.
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DOI: 
dx.doi.org/10.19261/cjm.2016.11(2).04
 
Abstract (PDF)
Graphical Abstract: In this study, we have shown that FDDNP as a functional fluorescent biomarker has high performance in near-infrared region. The best predicted working wavelength belongs to Ti:sapphire laser (880 nm). The employed near-infrared (NIR) wavelengths reduce scattering and maximize tissue penetration.

 

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DISPOSAL OF POISONOUS ORGANIC HALIDES BY USING THE ELECTROCHEMICAL METHOD: DFT SIMULATION

Author(s):

Tudor Spataru, Francisco Fernandez, Joseph W. Sista, Petru Spataru, Igor Povar


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.2
Pages: 93-98
Keywords: poisonous pesticides, organic chlorides, electrochemistry, DFT, carbon-chloride bonds.
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DOI:
 dx.doi.org/10.19261/cjm.2016.11(2).05
 
Abstract (PDF)
Graphical Abstract: Geometry optimizations at the UBP86/6-311++G** level of electronic structure theory have been performed for DDT, β-hexachlorocyclohexane, and heptachlor organic polychlorides and their positive and negative ions. The geometry optimization of the obtained neutral intermediate molecules after the first and second reducing by two electrons show that the electrochemical dehalogenation of the organic poychlorides is sequential.

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STRUCTURAL DISTORTIONS OF COORDINATED KETENE MOLECULE INDUCED BY THE PSEUDO JAHN-TELLER EFFECT

Author(s):

Natalia Gorinchoy


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.2
Pages: 99-104
Keywords: Pseudo Jahn-Teller effect, orbital charge transfers, ketene excited states, metal ketene complex.
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DOI:
 dx.doi.org/10.19261/cjm.2016.11(2).09
 
Abstract (PDF)
Graphical Abstract: It is shown that the only reason of structural distortions of ketene molecule coordinated in the complexes VCp2-H2C2O (I) and Pt(PPh3)2-H2C2O (II) is the pseudo Jahn-Teller effect induced by the orbital charge transfers by coordination. The η2-(C-O) coordination and the in-plane distortion of ketene in the complex (I) is due to the PJTE induced by the back donation to its LUMO 3b2. The η2-(C-C) coordination mode, and the out-of-plane distortion of the molecule in the complex (II) is caused by two OSTs: from the HOMO 2b1 to the metal, and from the dxy-AO of Pt to the vacant 3b1 MO of ketene, thus being the result of the diorbital Pt-ketene interaction.

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THE NATURE OF THE Co-C BOND CLEAVAGE PROCESSES IN METHYLCOB(II)ALAMIN AND ADENOSYLCOB(III)ALAMIN

Author(s):

Tudor Spataru, Francisco Fernandez


Field: Physical chemistry and chemical physics
Type: Review
Issue: 2016 Volume 11, no.1
Pages: 10-20
Keywords: vitamin B12, mechanism, bio-catalysis, Pseudo-Jahn-Teller effect, DFT, MCSCF.
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Abstract (PDF)

DOI:
dx.doi.org/10.19261/cjm.2016.11(1).01

Graphical Abstract:
 No grounded mechanisms for Co-C vitamin B12 coenzyme bond breaking process and subsequent reactions have been found up to now. The influence of the mixing orbitals e.g. Pseudo-Jahn-Teller and similar effects on the reactions paths of bond-cleavage mechanisms of vitamin B12 co-factors must be taken into account. Afterward, the updated mechanisms of vitamin B12 bio-processes can be determined.


 

Downloads: 149

STUDIES OF THE SUBSTITUTION EFFECTS ON THE ELECTRONIC PROPERTIES FOR BIPHENYL AND DERIVATIVE MOLECULES BY USING DFT METHOD

Author(s):

Rajaa Khedir Al-Yasari


Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 61-68
Keywords: DFT calculation, electronic properties, IR and NMR spectra, biphenyl molecule.
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Abstract (PDF)

DOI:
dx.doi.org/10.19261/cjm.2016.11(1).08

Graphical Abstract: 
DFT method has been carried out to study the substitution effects of NO2 group on the electronic (ionization potential, electron affinity, electronegativity, hardness, softness and electrophilicity index) and IR spectral properties of biphenyl and derivative molecules by using the B3LYP functional and the 3-21G basis set, as well as the optimization structure. The calculated values of HOMO and LUMO energies, as well as predicted by ChemBioDraw program 1H and 13C NMR spectra for the studied compounds are in a good agreement with experimental data.


Downloads: 37