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Synthesis of Ruthenium(III) Phthalocyanine with Di-axial Bromo Ligands - A Promising Molecular Conductor with Giant Negative Magnetoresistance
, Pages: 1-6 Mario A.V. Gamboa, Joey A.A. Valinton and Derrick E.C. Yu PDF (230 K) |
Abstract: The electron transport of Phthalocyanines (Pc) with central metal and di-axial ligands (such as FeIII(Pc)L2; where L = CN, Cl, Br) originates from its intermolecular Pc π-π orbital overlap while its giant negative magnetoresistance (GNMR) arises from its intramolecular Pc-π(HOMO) and Fe-d (s=1/2) interaction. However, the π-d interaction tends to localize itinerant electrons resulting in the decrease in the conductivity of the FeIII(Pc)L2 series compared to the non-magnetic CoIII(Pc)L2 where π-d interaction is absent. More so, the axial ligand field energy of the FeIII(Pc)L2 system is found to have the ability to proportionally modulate the π-d interaction. In reference thereof, theoretical calculations point that isostructural RuIII(Pc)Br2 would provide the best balance of π-d orbital energy interplay. That is, RuIII(Pc)Br2 is expected to be a molecule with high electrical conductivity and GNMR which would make it an ideal magnetic molecular conductor. This paper reports on the synthesis of RuIII(Pc)Br2. DOI: 10.5267/j.ccl.2014.12.003 Keywords: Axially-ligated ruthenium phthalocyanine, Molecular conductor, Giant negative magnetoresistance, Molecular engineering |
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Biological evaluation of inhibitors of reverse transcriptase from HIV type-1
, Pages: 7-20 Hitendra Kumar Lautre, Taibi Ben Hadda, Snigdha Das and Ajai Kumar Pillai PDF (230 K) |
Abstract: In the present work, Zn(II), Co(II) and Cr(II) metal complexes (3-5) of N-hydroxy-4-[(hydroxyimino)methyl]benzamidine ligand (2) were synthesized and their anti-HIV activity by inhibiting reverse transcriptase was explored. Structural characterization using NMR, FTIR, Mass, UV-Vis spectra, TGA, magnetic moment and elemental analyses were performed. The analyses show that geometry, lipophilicity and steric factor play crucial role. Cell viability test is performed on peripheral blood mononuclear cells to check toxicity of prepared compounds on immune system, shows toxicity only at higher concentration. Antimicrobial activity and DNA cleavage analysis have also been studied and reported. DOI: 10.5267/j.ccl.2014.12.002 Keywords: N-hydroxy-4-[(hydroxyimino)methyl]benzamidine, Reverse transcriptase inhibitor, HIV-1, Metal complexes, Antibacterial activity |
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Single crystal X-ray structure of (Z)-1-bromo-1-nitro-2-phenylethene
, Pages: 21-26 Agnieszka Lapczuk-Krygier and Lukasz Ponikiewski PDF (230 K) |
Abstract: The title compound - (Z)-1-bromo-1-nitro-2-phenylethene - was prepared by a three-step reaction. Its structure was con?rmed by spectral analysis as well as X-ray crystallography. It was found, that the compound crystallized in the orthorhombic system, space group Pbca, a=11.5296(6)A, b=7.5013(5)A, c=19.7187(12)A, ὢ=㽹0Ь Z=8. DOI: 10.5267/j.ccl.2014.12.001 Keywords: nitroalkene, X-ray crystal structure |
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Transition metal-free oxidation of benzylic alcohols to carbonyl compounds by hydrogen peroxide in the presence of acidic silica gel
, Pages: 27-32 Hossein Ghafuri PDF (230 K) |
Abstract: Oxidation of alcohols to carbonyl compounds has become an important issue in the process industry as well as many other applications. In this method, various benzylic alcohols were successfully converted to corresponding aldehydes and ketones under transition metal-free condition using hydrogen peroxide in the presence of some amount of catalytic acidic silica gel. Silica gel is inexpensive and available. One of the most important features of this method is its short reaction time. DOI: 10.5267/j.ccl.2014.11.001 Keywords: Oxidation, Carbonyl compounds, Hydrogen peroxide, Acidic silica gel |
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An experimental and quantumchemical study of [2+3] cycloaddition between (Z)-C-(m,m,p-trimethoxyphenyl)-N-(p-methyphenyl)-nitrone and (E)-3,3,3-trichloro-1-nitroprop-1-ene: mechanistic aspects
, Pages: 33-44 Alicja Szczepanek, Ewa Jasinska, Agnieszka Kacka and Radomir Jasinski PDF (230 K) |
Abstract: Analysis of addent interactions with respect to the theory of electrophilicity and nucleophilicity indexes and kinetic studies shows the polar nature of [2+3] cycloaddition of (Z)-C-(m,m,p-trimethoxyphenyl)-N-(p-methylphenyl)-nitrone to (E)-3,3,3-trichloro-1-nitroprop-1-ene. However, PES exploration results do not confirm any zwitterion on the reaction paths. On the other hand, the nature of the solvent effect and the experimentally determined activation parameter values do not exclude a scenario in which one-step and stepwise processes occur simultaneously. DOI: 10.5267/j.ccl.2014.10.003 Keywords: Nitrone, Nitroalkene [2+3], Cycloaddition, Kinetic, Mechanism, DFT calculations |
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