Chemistry Journal of Moldova

DOI: dx.doi.org/10.19261/cjm.2016.11(2).05

 

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.

DOI: dx.doi.org/10.19261/cjm.2016.11(2).09

 

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.

DOI: dx.doi.org/10.19261/cjm.2016.11(1).02

Graphical Abstract: The research results have marked a low value of the self-purification capacity for Beleu Lake water, between 0.12 and 0.19, which is of 1.2-2 times smaller than the one from Prut River (0.25), correlating positively with the values of BOD5, COD-Cr and the time of biochemical oxidation of ammonium ions. The evolution of stage NH4+(NH3) → NO2- in the process of nitrification in lake water in November 2014 takes place about 25 days and the process NO2- → NO3- is more than 35 days, the duration about 2 times higher than in lake water stages from 2015 and 2.8-3.0 times higher than that of the model with water from Prut River.

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M. Sandu, A. Tarita, R. Lozan, N. Zgircu, E. Mosanu, T. Goreacioc, A. Zlotea, A. Comarnitchi, I. Sidoren, S. Turcan, A. Tarita. Ecological Potential of Surface Waters in Natural Scientific Reserve “Lower Prut”. Chemistry Journal of Moldova, 2016, 11(1), pp. 21-26. DOI: dx.doi.org/10.19261/cjm.2016.11(1).02

Article Source: Ecological Potential of Surface Waters in Natural Scientific Reserve “Lower Prut”. 

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DOI: dx.doi.org/10.19261/cjm.2016.11(1).03

Graphical Abstract: Aluminium sulphate is one of the most widely used coagulants for water treatment and has been proven to be an effective coagulant for the removal of certain contaminants, turbidity and colour. Aluminium sulphate used during the coagulation process is hydrolyzed in the water, forming polynuclear complexes. Aged aluminium solutions show different coagulation behaviour than that of freshly prepared solutions. Obtained results reveal that using of optimal aging solution of coagulant improves the coagulation process. 

 

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L. Postolachi, V. Rusu, T. Lupascu. Effect of Aluminium Sulphate Aging on Coagulation Process for the Prut River Water Treatment. Chemistry Journal of Moldova, 2016, 11(1), pp. 27-32. DOI: dx.doi.org/10.19261/cjm.2016.11(1).03

Article Source: Effect of Aluminium Sulphate Aging on Coagulation Process for the Prut River Water Treatment. 

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DOI: dx.doi.org/10.19261/cjm.2016.11(1).04

Graphical Abstract: Several types of crystals having different color appeared in the synthesis of assembled complex of mixed crystals with three metals. [H2(bpp)][M(NCS)4] changed to 1D chain polymer (M(NCS)2(bpp)) by releasing HNCS from the cation and anion in a reaction vessel.

 

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H. Dote, H. Yasuhara, S. Nakashima. The Formation Mechanism of Assembled Complexes Bridged by 1,3–Bis(4–Pyridyl)propane. Chemistry Journal of Moldova, 2016, 11(1), pp. 33-38. DOI: dx.doi.org/10.19261/cjm.2016.11(1).04

Article Source: The Formation Mechanism of Assembled Complexes Bridged by 1,3–Bis(4–Pyridyl)propane. 

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DOI: dx.doi.org/10.19261/cjm.2016.11(1).05

Graphical Abstract: Four coordination compounds of iron(III) with ligands based on hydrazine and sulfadiazine: FeCl3·digsemi·2H2O (I) (digsemi-semicarbazide diacetic acid dihydrazide, [Fe(HL)SO4] (II) (НL - sulfadiazine), [Fe(H2L1)(H2O)2](NO3)3·5H2O (III) (H2L1-2,6-diacetylpyridine bis(nicotinoylhydrazone) and [Fe(H2L2)(H2O)2](NO3)3•1.5H2O (IV) (H2L2 - 2,6-diacetylpyridine bis(isonicotinoylhydrazone) were synthesized. The spectroscopic and structural characterisation as well as their biological, properties are presented.

 

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I. Bulhac, A. Deseatnic-Ciloci, P. Bourosh, J. Tiurina, O. Bologa, C. Bivol, S. Clapco, A. Verejan, S. Labliuc, O. Danilescu. Structure and Some Biological Properties of Fe(III) Complexes with Nitrogen-Containing Ligands. Chemistry Journal of Moldova, 2016, 11(1), pp. 39-49. DOI: dx.doi.org/10.19261/cjm.2016.11(1).05

Article Source: Structure and Some Biological Properties of Fe(III) Complexes with Nitrogen-Containing Ligands. 

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DOI: dx.doi.org/10.19261/cjm.2016.11(1).06

Graphical Abstract: Synthesis of new drimane and homodrimane lactams, derivatives of octahydro-1H-benzo[d]azepine and octahydro-1H-benzo[c]azepine, from norambreinolide is reported. These compounds were prepared by Beckmann rearrangement of the corresponding ketooximes.

 

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E. Secara. Synthesis of New Drimane and Homodrimane Lactams by Beckmann Rearrangement of Some Ketoximes. Chemistry Journal of Moldova, 2016, 11(1), pp. 50-64. DOI: dx.doi.org/10.19261/cjm.2016.11(1).06

Article Source: Synthesis of New Drimane and Homodrimane Lactams by Beckmann Rearrangement of Some Ketoximes. 

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DOI: dx.doi.org/10.19261/cjm.2016.11(1).07

Graphical Abstract: This study describes the synthesis of some novel compounds containing bis-1,3,4-oxadiazole bearing quaternary ammonium salt moieties. The newly synthesized compounds were evaluated for their antibacterial activity against various gram-positive and gram-negative strains of bacteria, and the antifungal activities were tested against three phytopathogenic fungi namely, Fusarium oxysporum, Fusarium commune and Fusarium rodelens.

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S. Daoudi, T. Benaissa, D.E. Adli, N. Hamini-Kadar. Synthesis and Antimicrobial Evaluation of Symmetrical Diquaternary Ammonium Salts Bearing Bis-1,3,4-Oxadiazole Rings Moieties. Chemistry Journal of Moldova, 2016, 11(1), pp. 55-60. DOI: dx.doi.org/10.19261/cjm.2016.11(1).07

Article Source: Synthesis and Antimicrobial Evaluation of Symmetrical Diquaternary Ammonium Salts Bearing Bis-1,3,4-Oxadiazole Rings Moieties. 

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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.

 

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R.K. Al-Yasari. Studies of the Substitution Effects on the Electronic Properties for Biphenyl and Derivative Molecules by Using DFT Method. Chemistry Journal of Moldova, 2016, 11(1), pp. 61-68. DOI: dx.doi.org/10.19261/cjm.2016.11(1).08

Article Source: Studies of the Substitution Effects on the Electronic Properties for Biphenyl and Derivative Molecules by Using DFT Method. 

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DOI: dx.doi.org/10.19261/cjm.2016.11(1).09

Graphical Abstract: We have synthesized a variety of magnetite nanoparticles which appear to have biogenic signatures and could give insights into how the nanomagnetite particles form in biological systems, and how they are associated with Alzheimer’s disease. We have also synthesized mesoporous magnetite nanoparticles which have potential use in the targeted drug delivery.

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S. Malik, I.J. Hewitt, A.K. Powell. Electron Microscopy of Anionic Surfactant-Directed Synthesis of Magnetite Nanoparticles. Chemistry Journal of Moldova, 2016, 11(1), pp. 69-73. DOI: dx.doi.org/10.19261/cjm.2016.11(1).09

Article Source: Electron Microscopy of Anionic Surfactant-Directed Synthesis of Magnetite Nanoparticles. 

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