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Journal of the Iranian Chemical Research (JICR) is an international scientific journal is published every three month (four issues per year) by Islamic Azad University, Arak Branch, Arak, Iran. The journal publishes original papers and reviews in English dealing with experimental, theoretical and applied research related to all branches of chemistry. The journal covers not only traditional fields, such as analytical, inorganic, organic and physical chemistry, but also interdisciplinary area is going to be published. Manuscripts are considered for publication only if they have been neither published previously nor submitted elsewhere for publication. All contributions in the form of full papers or communications will be peer reviewed and published free of charge after acceptance.
The following article types are covered by JICR
Full Papers are conclusive reports on important, original research dealing with some aspects of chemistry. They should present new facts or provide a novel approach to an established topic.
Communications are restricted to reports of sufficient and timely significance and of general interest, in order to justify rapid publication. In the cover letter, reasons must be given why it is necessary to publish the manuscript as a communication.
Reviews are intended to attract a broad spectrum of potential readers by timely topics of both particular and general interest. The authors of reviews should be scientifically active in the field. The reviewed material must be logically assorted and critically evaluated, and clear conclusions should be made. The authors are also encouraged to outline potential future perspectives of development in the field.
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The submission of a paper implies that it has not been previously published, that it is not under consideration for publication elsewhere. By submitting a typescript, the authors agree that the copyright for their paper is transferred to the publisher, if and when the paper is accepted for publication.
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دسترسی آزاد مقاله
1 - The influence of alumina used as a support on the catalytic properties of Pt/Sn/Al2O3 systems in the dehydrogenation of isobutane
Sedigheh Vaezifar hossein Faghihian Mehdi kamaliشماره 1 , دوره 1 , زمستان 2008In this research different types of Al2O3 were used as supports to prepare catalysts for dehydrogenation of isobutane to isobutene. These supports were Al2O3 from Merck, Axen and gamma Al2O3 synthesized from Al(OH)3. Sn/Pt/Al2O3 catalysts were prepared by sequential imp چکیده کاملIn this research different types of Al2O3 were used as supports to prepare catalysts for dehydrogenation of isobutane to isobutene. These supports were Al2O3 from Merck, Axen and gamma Al2O3 synthesized from Al(OH)3. Sn/Pt/Al2O3 catalysts were prepared by sequential impregnation, at first Pt and then Sn was deposited. Characterization of catalysts was performed by X-ray powder diffraction (XRD) and thermal analysis (TG/DTG) techniques. Elemental analysis of the catalysts was also carried out by wet chemical analysis using inductively coupled plasma (ICP) technique. Isobutane dehydrogenation was studied in a reactor under atmospheric pressure at 848 K. The conversion, selectivity and yield of the prepared catalysts were calculated. پرونده مقاله -
دسترسی آزاد مقاله
2 - A convenient method for 14C-labeling of N-(7-chloro-1- methyl-2-oxo-5-phenyl-2,3-dihydro-1Hbenzo[ e][1,4]diazepin-3-yl)thiophene-2-carboxamide as CCK-A antagonist
Nader Saemian Gholamhossein Shirvani Mohsen Javaheriشماره 2 , دوره 5 , بهار 2012N-(7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)thiophene-2 carboxamide-[14C-carboxy] was prepared as part of a 6-step sequence from thiophene-2-carbonitrile -[cyano-14C] as a keysynthetic intermediate which has been synthesized from 2-iodo چکیده کاملN-(7-chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)thiophene-2 carboxamide-[14C-carboxy] was prepared as part of a 6-step sequence from thiophene-2-carbonitrile -[cyano-14C] as a keysynthetic intermediate which has been synthesized from 2-iodothiophene and zinc [14C]-cyanide in thepresence of tetrakis (triphenylphosphine) palladium. پرونده مقاله -
دسترسی آزاد مقاله
3 - Hybrid-DFT study and NBO interpretations of the conformational behavior of 1,2-dihalodisilanes
Davood Nori-Shargh Seiedeh Negar Mousavi Hooriye Yahyaei Somayye Yazdani Bahareh Ahmadiشماره 4 , دوره 4 , پاییز 2011Hybrid-density functional theory (B3LYP/Def2-TZVPP) based method and NBOinterpretation were used to investigate the conformational behavior of 1,2-dihalodisilanes[halo=F (1), Cl (2), Br (3), I (4)]. The B3LYP/Def2-TZVPP results showed that the anticonformations of compo چکیده کاملHybrid-density functional theory (B3LYP/Def2-TZVPP) based method and NBOinterpretation were used to investigate the conformational behavior of 1,2-dihalodisilanes[halo=F (1), Cl (2), Br (3), I (4)]. The B3LYP/Def2-TZVPP results showed that the anticonformations of compounds 1-4 are more stable than their corresponding gaucheconformations. The stability of the anti conformation compared to the gauche conformationincreases from compound 1 to compound 4. The NBO analysis of donor-acceptor interactionsshowed that the generalized anomeric effect (GAE) is in favor of the gauche conformations ofcompounds 1 and 2. Contrary to compounds 1 and 2, GAE is in favor of the anti conformationsof compounds 3 and 4. The GAE values calculated (i.e. GAEanti-GAEgauche) increase fromcompound 1 to compound 4. On the other hand, the calculated dipole moment values for thegauche conformations increase from compound 1 to compound 3 but decreases from compound3 to compound 4. Based on the results obtained, there is no conflict between the GAE and theelectrostatic model impacts on the conformational preferences in compounds 1-3 but theelectrostatic model can not rationalize the increase of the instability of the gauche conformationof compound 4 compared to its anti conformation on going from compound 3 to compound 4.Consequently, in the conflict between the GAE and the electrostatic model, the former succeededin accounting for the increase of the anti conformation stability from compound 1 to compound4. There is a direct correlation between the calculated GAE, Δ[rSi-Si(G)-rSi-Si(A)] parameters. Thecorrelations between the GAE, bond orders, ΔGAnti-Gauche, ΔG‡(Gauche→Gauche′, C2v),ΔG‡(Anti→Gauche, C2), dipole-dipole interactions, structural parameters and conformationalbehaviors of compounds 1-4 have been investigated. پرونده مقاله -
دسترسی آزاد مقاله
4 - Tautomeric equilibria for ionized oxamic acid - inhibitor of LDH
Ewa D. Raczyńska Małgorzata Hallmann Kinga Duczmalشماره 2 , دوره 4 , بهار 2011Amide-iminol tautomerism was studied for ionized oxamic acid (OA+•) in the gas phase using theDFT method with the UB3LYP functional and various basis sets {6-31++G(d,p), 6-311+G(d,p), and augcc-pVDZ}. Among twenty tautomers-rotamers possible for OA+•, eleven i چکیده کاملAmide-iminol tautomerism was studied for ionized oxamic acid (OA+•) in the gas phase using theDFT method with the UB3LYP functional and various basis sets {6-31++G(d,p), 6-311+G(d,p), and augcc-pVDZ}. Among twenty tautomers-rotamers possible for OA+•, eleven isomers were found to bethermodynamically stable. Similarly as for the neutral molecule, ionization (OA → OA+• + e) favors theamidization process (amide ← iminol). Isomerization seems to change solely the conformationalpreferences. π-Electron delocalization in the NCO and OCO moieties is close to that for n-π conjugatedfragments. پرونده مقاله -
دسترسی آزاد مقاله
5 - Kinetic and thermodynamic studies of the removal of murexide from aqueous solutions on to activated carbon
Ardeshir Shokrollahi Mehrourang Ghaedi Mojdeh Ranjbar Ameneh Alizadehشماره 4 , دوره 3 , پاییز 2010The objective of this study was to assess the adsorption potential of activated carbon (AC) asan adsorbent for the removal of Murexide (Mu) from aqueous solutions. The influence of variablesparameters including pH, amount of adsorbent, sieve size of adsorbent, temperatu چکیده کاملThe objective of this study was to assess the adsorption potential of activated carbon (AC) asan adsorbent for the removal of Murexide (Mu) from aqueous solutions. The influence of variablesparameters including pH, amount of adsorbent, sieve size of adsorbent, temperature and contact timeon Mu removal was studied. Following optimization of variables, the relation between concentrations ofdye remained in aqueous and adsorbent has been evaluated using various adsorption isotherm modelslike, Langmuir, Freundlich, Tempkin, Harkins-Jura and Dubinin–Radushkevich. Thermodynamicparameters such as enthalpy (ΔH◦), and, entropy (ΔS◦), activation energy (Ea), stickingprobability (S*), and Gibb’s free energy changes (ΔG◦) were also calculated. It was found fromevaluated different thermodynamic parameters, viz., ΔH◦, ΔS◦ and ΔG◦ that the adsorption of Muby AC was feasible, spontaneous and endothermic process. The kinetic studies suggest that the allprocess following pseudo second order kinetics and involvement of intera- particle diffusion mechanism.The results indicated that the intraparticle diffusion also is the rate limiting factor. پرونده مقاله -
دسترسی آزاد مقاله
6 - Silica sulfuric acid mediated protection of carbonyl groups as 2,4- dinitrophenylhydrazone
Mehdi Fallah-Mehrjardi Ali Reza Kiasatشماره 4 , دوره 2 , پاییز 2009Silica sulfuric acid is employed as solid acid catalyst for the clean and less hazardousprotection of carbonyl compounds as 2,4-dinitrophenylhydrazone under solvent-free conditions.Silica sulfuric acid is employed as solid acid catalyst for the clean and less hazardousprotection of carbonyl compounds as 2,4-dinitrophenylhydrazone under solvent-free conditions. پرونده مقاله -
دسترسی آزاد مقاله
7 - Silica sulfuric acid: an efficient catalyst for the synthesis of substituted indazoles
Digambar D. Gaikwad Rajendra P. Pawarشماره 3 , دوره 3 , تابستان 2010A simple extremely fast and efficient approach for the synthesis of substituted indazole ingood to excellent yield catalyzed by using silica sulfuric acid (SSA) in DMSO solvent at roomtemperature. This is solid state reaction have been attracting the synthetic organic c چکیده کاملA simple extremely fast and efficient approach for the synthesis of substituted indazole ingood to excellent yield catalyzed by using silica sulfuric acid (SSA) in DMSO solvent at roomtemperature. This is solid state reaction have been attracting the synthetic organic chemist asthey provided enhance reaction rates, less environmental pollution, greater selectivity, cleanerproducts and manipulative simplicity. Various indazoles are obtained in moderate to excellentyield. پرونده مقاله -
دسترسی آزاد مقاله
8 - Synthesis of a carbon-14 analogue of N-(aryl-methyl)-3-phenyl-acryl amidine-[carboxy-14C] and its derivatives as NR2B-selective NMDA receptor antagonist
Nader Saemian Kameh Esmailli Gholamhossein Shirvani Mohsen Javaheri Omid Khalili Arjomandiشماره 3 , دوره 3 , تابستان 2010Four amidine NR2B-selective NMDA receptor antagonists, N-( 2-methoxy benzyl) -3-phenyl-acrylamidine, N-[diduterio(2-methoxyphenyl) methyl]-3-phenyl-acrylamidine, N-benzyl-3-phenyl-acryl amidine and N-[diduterio(phenyl)methyl]-3-phenyl-acrylamidine, all fourlabeled with چکیده کاملFour amidine NR2B-selective NMDA receptor antagonists, N-( 2-methoxy benzyl) -3-phenyl-acrylamidine, N-[diduterio(2-methoxyphenyl) methyl]-3-phenyl-acrylamidine, N-benzyl-3-phenyl-acryl amidine and N-[diduterio(phenyl)methyl]-3-phenyl-acrylamidine, all fourlabeled with carbon-14 in the 1-position, have been synthesized as part of 5-step sequence fromBa14CO3. پرونده مقاله -
دسترسی آزاد مقاله
9 - A numerical study of supercritical water oxidation of phenol
Majid Bazargan Maryam Akbariشماره 3 , دوره 4 , تابستان 2011Supercritical water oxidation has attracted attention of many researchers ever since the ideahas emerged about three decades ago as a promising technique in the waste managementindustry. Providing more details about the behavior of a supercritical water oxidation system چکیده کاملSupercritical water oxidation has attracted attention of many researchers ever since the ideahas emerged about three decades ago as a promising technique in the waste managementindustry. Providing more details about the behavior of a supercritical water oxidation systemunder various operating conditions and extending available data can greatly assist more accurateand reliable design of such systems. In this study, oxidation of phenol in supercritical water hasbeen modeled as a plug flow reactor. The variations of main system parameters such astemperature and waste concentration along the reactor have been calculated. The numericalmodel predictions have been compared with available experiments and good agreement has beenobtained for steady state operation conditions. In addition, the responses of the numerical modelto some unsteady events, such as sudden increases of mass flow rate or fluid inlet temperaturehave been examined. These situations may possibly occur due to malfunction of variouscomponents of the system. It has been shown that the design temperature of the reactor withusual consideration of the safety factors supports the probable range of sudden alterations. پرونده مقاله -
دسترسی آزاد مقاله
10 - Conformational Study of some novel Methoxy Half-Analogues of Michler’s Ketone by NMR
Naghi Saadatjou Geoffrey Hallasشماره 4 , دوره 2 , پاییز 2009One series of half-analogues of Michler’s ketone containing one or more terminal methoxysubstituents with variable tertiary amino groups have been used in this study. NMR spectralresults for the parent ketones confirm earlier findings that ortho proton shifts are چکیده کاملOne series of half-analogues of Michler’s ketone containing one or more terminal methoxysubstituents with variable tertiary amino groups have been used in this study. NMR spectralresults for the parent ketones confirm earlier findings that ortho proton shifts are apparentlyindependent from steric effects in derivatives of Michler’s ketone because the ring current andcarbonyl-induced shifts are self-canceling. پرونده مقاله
