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71.
A theoretical investigation was performed to study cooperative effects in fluorine-centered halogen bond interactions. We investigated geometry, strength, and origin of the interactions in linear (FCN)2–7 and (FNC)2–7 clusters by means of MP2 and CCSD(T) methods. Our results strongly suggest that cooperative effects induced by fluorine-centered halogen bonds are significant in both linear FCN and FNC clusters. CCSD(T)/6-311++G** calculations reveal that for (FCN)2–7 clusters, the average halogen-bonding energy per monomer increases from ?0.76 kcal/mol in dimer to ?0.92 kcal/mol in heptamer. The results of electron density analysis suggest that the capacity of the linear FCN and FNC clusters to concentrate electrons at the F···N and F···C BCPs enhance considerably with cluster size. The results also indicate that the magnitude of cooperative effects is more important for FCN than for FNC clusters. According to energy decomposition analysis, attractive electrostatic and dispersion components make the major contribution to the F···N and F···C halogen bond interactions. An acceptable correlation is found between different energy terms and total interaction energies, revealing the main role of these interactions for stability of linear (FCN) n and (FNC) n clusters. 相似文献
72.
Ali Ramazani Nahid Shajari Amir Tofangchi Mahyari Mehdi Khoobi Yavar Ahmadi Ali Souldozi 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):2496-2502
Reactions of (N-isocyanimino)triphenylphosphorane with 1,1,1-trifluoroacetone in the presence of aromatic (or heteroaromatic) carboxylic acids (3-methylbenzoic acid, 1-naphthalenecarboxylic acid, 2-naphthalenecarboxylic acid, 2-furancarboxylic acid, and 2-thiophenecarboxylic acid) proceed smoothly at room temperature and in neutral conditions to afford sterically congested 1,1,1-trifluoro-2-(5-aryl-1,3,4-oxadiazol-2-yl)-2-propanol derivatives in high yields. The reaction proceeds smoothly and cleanly under mild conditions, and no side reactions were observed. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. 相似文献
73.
The variations of the open circuit voltages (OCVs) were studied in a passive air-breathing direct methanol fuel cell with an air-breathing cathode using Nafion 115 as the electrolyte membrane. The effects of some operating parameters such as cell temperature, cell orientation, and also methanol concentration on the OCV of fabricated fuel cell were investigated experimentally. The experimental results showed that the OCV values depend strongly on the cell orientation, cell temperature, and methanol concentration. The OCV values decrease with an increase in methanol concentration and cell temperature. Also, the OCV values in vertical orientation are lower than the OCV values in other orientations. 相似文献
74.
Mwsleh Mwhmadi Mehdi Kamali Jamal Rashidiani Omid Rezai Kaveh Moradi Ashkan Faridi Khadijeh Eskandari 《Journal of Cluster Science》2014,25(6):1577-1587
NiO and CuO nanostructures were synthesized successfully via simple and fast microwave approach. Olive oil was chose as surfactant for stabilizing nanostructures. Different parameters such as microwave time and power and olive oil concentration were investigated on product size and morphology. The products were characterized with X-ray diffraction pattern, scanning electron microscopy, transmission electron microscopy and energy dispersive spectrometry analysis. 相似文献
75.
Mohammad Mehdi Khodaei Davood Kordestani 《Phosphorus, sulfur, and silicon and the related elements》2013,188(11):2403-2405
Abstract Direct conversion of acylals to the corresponding bisulfites can be easily performed in the presence of bismuth (III) nitrate pentahydrate in ethanol at room temperature in good yields. 相似文献
76.
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78.
Mohammad Kazem Rofouei Mehdi Khodadadian Ali Reza Jalalvand Armin Beiza 《International journal of environmental analytical chemistry》2013,93(6):665-675
A new PVC-membrane electrode for Co2+ ions based on N,N′-di(thiazol-2-yl)formimidamide (TF) as membrane carrier has been developed. The electrode resulted in Nernstian response (29.5?±?0.4?mV decade?1) for Co2+ ion over a wide concentration range (2.5?×?10?7 ?1.0?×?10?1?M) with a detection limit of 6.1?×?10?8?M. The sensor has a response time of about 10?s, and can be used for at least 2 months without observing any deviation from the Nernstain response. The electrode revealed good selectivity towards cobalt(II) ion over a wide variety of alkali, alkaline earth, transition, and heavy metal ions and could be used in the pH range 2.0–7.0. The electrode was used for determination of Co2+ in real samples. 相似文献
79.
Ebrahim Soleimani Mohammad Mehdi Khodaei Afsaneh Taheri Kal Koshvandi 《Comptes Rendus Chimie》2012,15(4):273-277
An environmentally friendly and simple method for the synthesis of alkyl nitriles or β-cyanocarbonyls via a one-pot three-component reaction of Meldrum's acid, aldehydes and sodium cyanide in water, without using any catalyst or activation at room temperature is reported. 相似文献
80.
Mehdi Shafiee Ahmad R. Khosropour Iraj Mohammadpoor-Baltork Majid Moghadam Shahram Tangestaninejad Valiollah Mirkhani 《Tetrahedron letters》2012,53(24):3086-3090
A novel, diastereoselective, one-pot synthesis of new bis-Betti bases via condensation of dihydroxynaphthalene, two equivalents of aryl aldehydes, and two equivalents of 3-amino-5-methylisoxazole is reported. Conversion into the adducts was almost quantitative without the use of solvent or catalyst. The reaction conditions are very simple and enable easy isolation of the product. 相似文献