Physical chemistry and chemical physics
Author(s): Sharali Malik, Ian James Hewitt, Annie Katherine Powell
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 69-73
Keywords: magnetite, magnetic nanoparticles, hydrothermal synthesis, drug delivery.
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Author(s): Abdulfatai Siaka, Adamu Uzairu, Sulaiman Idris, Hamza Abba
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 74-85
Keywords: semicarbazone, kinetics, bi- and unimolecular step, transition step, spontaneity.
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Author(s): Nicolay Davidenko, Irina Davidenko, Oleg Korotchenkov, Victor Kravchenko, Elena Mokrinskaya, Andrey Podolian, Sergey Studzinsky, Larisa Tonkopiyeva
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 86-90
Keywords: organic heterostructures, MEH-PPV, metal complexes, photovoltaic effect.
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DOI: dx.doi.org/10.19261/cjm.2016.11(1).11
Graphical Abstract: Planar organic heterostructures were prepared using poly-N- epoxypropylcarbazole films and poly[2-methoxy-5-(2’-ethylhexyloxy)-1,4-phenylenevinylene] by the method of successive deposition adding 2,3,9,10,16,17,23,24-zinc octabutylphthalocyanine. Photoelectric, photodielectric and photovoltaic properties of the heterostructures were studied.
The article is Open Access by CC-BY 4.0 License
Cite this article as:
N. Davidenko, I. Davidenko, O. Korotchenkov, V. Kravchenko, E. Mokrinskaya, A. Podolian, S. Studzinsky, L. Tonkopiyeva. Photoelectric Properties of Heterostructures Based on PEPC and MEH-PPV Films Doped with Zinc Octabutylphthalocyanine. Chemistry Journal of Moldova, 2016, 11(1), pp. 86-90. DOI: dx.doi.org/10.19261/cjm.2016.11(1).11
Article Source: Photoelectric Properties of Heterostructures Based on PEPC and MEH-PPV Films Doped with Zinc Octabutylphthalocyanine.
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Author(s): Daryna Haliarnik, Oleg Petuhov, Olga Bakalinska, Tudor Lupascu, Mykola Kartel
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2016 Volume 11, no.1
Pages: 91-96
Keywords: carbon nanomaterials, activated carbon, benzoyl peroxide, catalytic activity, Michaelis constant.
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Author(s): Mohammad Taghi Taghizadeh, Morteza Vatanparast, Saeed Nasirianfar
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.2
Pages: 77-88
Keywords: oxaziridine, DFT, Fukui function, vertical ionization energy, adiabatic ionization energy.
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DOI: dx.doi.org/10.19261/cjm.2015.10(2).10
Graphical Abstract: Oxaziridine [c-CH3NO (X1A)], c-CH2NO (X2A) radicals and Cl, NH2 and methyl derivatives of oxaziridine structures have been optimized via DFTB3LYP level of theory using 6-311++G (d, p) basis set. Population analysis had been carried out. Vertical ionization energy (VIE) and adiabatic ionization energy (AIE), Fukui indices and some quantum chemical parameters were calculated. N-O bond was determined as weakest bond in oxaziridine triangle. The effect of electron withdrawing and electron donating groups on stability of weakest bond were assessed.
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Author(s): Mohammad Taghi Taghizadeh, Morteza Vatanparast, Saeed Nasirianfar
Field: Physical chemistry and chemical physics
Type:
Issue: 2015 Volume 10, no.2
Pages: 99-108
Keywords: oxaziridine, DFT, Fukui function, vertical ionization energy, adiabatic ionization energy.
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Graphical Abstract: Supplementary material contains Tables S1 to S9 and Figures S1 to S4.
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Author(s): Lilia Anghel
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 71-75
Keywords: lactoferrin, ionizable residues, protonation, continuum electrostatics.
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DOI: dx.doi.org/10.19261/cjm.2015.10(1).10
Graphical Abstract: In this study, the protonation states of ionizable groups of human lactoferrin in various conformations were investigated theoretically, at physiological pH (7.365). These calculations show that the transition of the protein from a conformation to another one is accompanied by changes in the protonation state of specific amino acid residues.
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Author(s): Tatiana Goreacioc
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 76-83
Keywords: active carbon, oxidation, surface properties, thermal analysis, infrared spectroscopy.
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DOI: dx.doi.org/10.19261/cjm.2015.10(1).11
Graphical Abstract: The surface chemistry of the commercial active carbon AG-5 has been modified by oxidation with concentrated nitric acid. The structural changes caused by oxidative treatment were estimated on the basis of nitrogen adsorption-desorption isotherms and thermal analysis. Boehm titration method and infrared spectral analysis have been used in order to evaluate surface chemistry characteristics of active carbon samples.
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Author(s): Dumitru Sirbu
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 84-88
Keywords: ferrocene, terpyridine, Mӧssbauer, Debye temperature.
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DOI: dx.doi.org/10.19261/cjm.2015.10(1).12
Graphical Abstract: 57Fe Mӧssbauer spectra were recorded for 1'-terpyridine ferrocenecarboxylic acid and [bis(1'-terpyridine ferrocenecarboxylic acid) Fe(II)]2+ in the temperature range 7 – 293 K. The temperature dependence of the Quadrupole Splitting, Isomer Shift and Debye-Waller factor are discussed. The Debye temperature, θ
D, for the iron nuclei in the investigated compounds was determined.
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Author(s): Mikhail Gorbachev, Natalia Gorinchoy, Ion Arsene
Field: Physical chemistry and chemical physics
Type: Research paper
Issue: 2015 Volume 10, no.1
Pages: 89-94
Keywords: antioxidant activity, DPPH*, dihydroxyfumaric acid, dimethyl ether of dihydroxyfumaric acid, DFT calculations.
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DOI: dx.doi.org/10.19261/cjm.2015.10(1).13
Graphical Abstract: The preferred mechanism of the reaction of dihydroxyfumaric acid and its dimethyl ether with the free stable radical 1,1-diphenyl-2-picrylhydrazyl (DPPH*) was revealed by means of Density Functional Theory (DFT) calculations. The proposed mechanism has an ionic character and includes the formation of charge-transfer complexes as the main stage. It is also shown that the lower antioxidant activity of dimethyl ether of dihydroxyfumaric acid is caused by both its lower acidity (as compared with its precursor acid) and formation of more stable intermediates during its reaction with DPPH*. Our results allow one to rationalize the available experimental data.
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