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A conductance study of the interaction between Rb+ and Cs+ ions and18-crown-6 (18C6), dicyclohexyl-18-crown-6 (DC18C6), dibenzo-18-crown-6 (DB18C6),dibenzo-24-crown-8 (DB24C8), and dibenzo-30-crown-10 (DB30C10) inacetonitrile solution has been carried out at various temperatures. The formationconstants of the resulting 1:1 complexes were determined from the molarconductance-mole ratio data and found to vary in the orderDC18C6 > 18C6 > DB30C10 > DB18C6 DB24C8for Rb+ ion andDC18C6 > 18C6 > DB30C10 DB24C8 > DB18C6for Cs+ ion. The enthalpy and entropy of complexation were determined fromthe temperature dependence of the formation constants. The complexes with the18-crowns are both enthalpy and entropy stabilized while, in the case of largecrown ethers, the corresponding complexes are enthalpy stabilized but entropydestabilized. 相似文献
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Abedien Zabardasti Ali Kakanejadifard Motaleb Ghasemian Mohammad Solimannejad 《Structural chemistry》2012,23(4):1155-1161
The molecular interactions between phosphorous ylide (PY) and HX molecules (X?=?F, CN, and N3) were investigated using the MP2 method at 6-311++G(2d,2p) basis set. Three different patterns including non-classical hydrogen bond H···C, X···P interaction and classical hydrogen bond H···X were found for complex formation between PY and HX molecules. From the predicted models, stability of the H···C type complexes are greater than other types. Quantum theories of atoms in molecules and natural bond orbitals methods have been applied to analyze the intermolecular interactions. Good correlations have been found between the interaction energies (SE), the second-order perturbation energy E (2), and the charge transfer qCT in the studied systems. 相似文献
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Mahboubeh Ghasemian Dazmiri Heshmatollah Alinezhad Zinatossadat Hossaini Ahmad R. Bekhradnia 《应用有机金属化学》2020,34(9):e5731
In this research, Fe3O4/ZnO magnetic core-shell nanoparticles (Fe3O4/ZnO MCNPs) were synthesized through a green method using Petasites hybridus rhizome water extract as a reducing and stabilizing agent. The morphology and size of the Fe3O4/ZnO MCNPs was identified by X-ray diffraction, scanning electron microscopy, and Energy-dispersive X-ray spectroscopy (EDX) analysis. The catalytic activity of the Fe3O4/ZnO MCNPs was evaluated in the efficient and green preparation of pyran derivatives in excellent yield using three-component reactions of dimedone, aldehydes, and malononitrile in ethanol at room temperature. The ability of some synthesized compounds to scavenge the 2,2-diphenyl-1-picrylhydrazyl radical was measured and the results proved this observation. Moreover, the antimicrobial activity of some synthesized compounds was proved by employing the disk diffusion test on Gram-positive and Gram-negative bacteria. The results for the disk diffusion test showed that compounds ( 4c, 4d, 4f and 4g ) prevented bacterial growth. 相似文献
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Qamrul Hasan Ansari Mahboubeh Rezaei 《Journal of Optimization Theory and Applications》2012,153(3):587-601
In this paper, we introduce the notion of invariant pseudolinearity for nondifferentiable and nonconvex functions by means
of Dini directional derivatives. We present some characterizations of invariant pseudolinear functions. Some characterizations
of the solution set of a nonconvex and nondifferentiable, but invariant, pseudolinear program are obtained. The results of
this paper extend various results for pseudolinear functions, pseudoinvex functions, and η-pseudolinear functions, and also for pseudoinvex programs, pseudolinear programs, and η-pseudolinear programs. 相似文献
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Abedien Zabaradsti Ali Kakanejadifard Motaleb Ghasemian Mehdi Esmaeilifar 《Structural chemistry》2013,24(5):1607-1614
The molecular interactions between sulfur ylide (SY) and HSX molecules (X = F, Cl and Br) were investigated using the MP2 method with the 6-311++G (2d, 2p) basis set. The SY (CH2=SH2) have two reactive sites: CH2 (denoted as C-interaction) and SH2 (S-interaction) that both could interact with three atoms of HSX molecules. The results show that S···C, X···C, and H···C interactions (C-interactions) is preference over the X···S, H···S, and H···X interactions. Quantum theories of atoms in molecules and natural bond orbitals methods have been applied to analyze the intermolecular interactions. Good correlations have been found between the interaction energies, the second-order perturbation energies E(2), and the charge transfer qCT in the studied systems. 相似文献
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Al2O3/CH3SO3H (AMA) is an efficient catalyst for the three-component condensation reaction of aldehyde, 1,3-dicarbonyl compound, and urea or thiourea to afford the corresponding 3,4-dihydropyrimidin-2-(1H)-ones in high isolated yield via this procedure, which works very effectively regardless of the electronic nature of the substituent on the ring, although electron-donating groups precipitate the rate of reaction. The catalyst is recyclable and stable at room temperature, and the reaction protocol is simple, is cost-effective, and gives good isolated yield with high purity. 相似文献
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Mahboubeh Nabavinia Baishali Kanjilal Noahiro Fujinuma Amos Mugweru Iman Noshadi 《Molecules (Basel, Switzerland)》2021,26(7)
To address the issue of global warming and climate change issues, recent research efforts have highlighted opportunities for capturing and electrochemically converting carbon dioxide (CO2). Despite metal doped polymers receiving widespread attention in this respect, the structures hitherto reported lack in ease of synthesis with scale up feasibility. In this study, a series of mesoporous metal-doped polymers (MRFs) with tunable metal functionality and hierarchical porosity were successfully synthesized using a one-step copolymerization of resorcinol and formaldehyde with Polyethyleneimine (PEI) under solvothermal conditions. The effect of PEI and metal doping concentrations were observed on physical properties and adsorption results. The results confirmed the role of PEI on the mesoporosity of the polymer networks and high surface area in addition to enhanced CO2 capture capacity. The resulting Cobalt doped material shows excellent thermal stability and promising CO2 capture performance, with equilibrium adsorption of 2.3 mmol CO2/g at 0 °C and 1 bar for at a surface area 675.62 m2/g. This mesoporous polymer, with its ease of synthesis is a promising candidate for promising for CO2 capture and possible subsequent electrochemical conversion. 相似文献
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