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排序方式: 共有57条查询结果,搜索用时 31 毫秒
21.
Yasemin Yahsi Elif Gungor M. Burak Coban Hulya Kara 《Molecular Crystals and Liquid Crystals》2016,637(1):67-75
A new linear trinuclear MnIII-MnII-MnIII complex 1 has been synthesized and characterized by elemental, spectral, X-ray and magnetic analysis. X-ray diffraction studies show that the central MnII ion is located at a crystallographic inversion center and is triply bridged to the terminal MnIII ions through one methoxide, one syn-syn carboxylate and one hydroxyl oxygen bridges with the short MnIII…MnII distance that is 3.047 Å. The intermolecular C-H…O, C-H…π and ring-metal interactions are observed in the hydrogen-bonded assembly of 1. Magnetic studies reveal that the mixed-valence complex 1 has S = 3/2 ground state with antiferromagnetic exchange interactions between MnII and MnIII ions. 相似文献
22.
Carbene transfer to appropriate substrates is a highly versatile tool for the construction of carbon frameworks with increased functional and structural complexity. In this study, some novel cyclopropane derivatives were synthesized via carbenoid reactions and their further reactivities were investigated. (1E)‐Buta‐1,3‐dien‐1‐yl acetate was reacted with four different diazocarbonyl compounds, ethyl diazoacetate, dimethyl diazomalonate, 1‐diazo‐1‐phenylpropan‐2‐one, and methyl (3E)‐2‐diazo‐4‐phenylbut‐3‐enoate, in the presence of two catalysts. All synthesized substituted cyclopropanes were obtained chemoselectively with respect to less‐hindered C?C bonds. Under the applied conditions, while cyclopropanes 7a and 7d underwent further reactions, cyclopropanes 7b and 7c were stable enough. Cyclopropanes 7a and an additional equivalent of ethyl diazoacetate yielded polyfunctionalized cyclohexenes. Cyclopropanes from methyl (3E)‐2‐diazo‐4‐phenylbut‐3‐enoate yielded polyfunctionalyzed cycloheptadiene isomers by Cope rearrangement. 相似文献
23.
The potential of mean force (PMF) for stretching decaalanine in vacuum was determined earlier by Park and Schulten [J. Chem. Phys. 120, 5946 (2004)] in a landmark article demonstrating the efficacy of combining steered molecular dynamics and Jarzynski's nonequilibrium relation. In this study, the recently developed adaptive steered molecular dynamics (ASMD) algorithm [G. Ozer, E. Valeev, S. Quirk, and R. Hernandez, J. Chem. Theory Comput. 6, 3026 (2010)] is used to reproduce the PMF of the unraveling of decaalanine in vacuum by averaging over fewer nonequilibrium trajectories. The efficiency and accuracy of the method are demonstrated through the agreement with the earlier work by Park and Schulten, a series of convergence checks compared to alternate SMD pulling strategies, and an analytical proof. The nonequilibrium trajectories obtained through ASMD have also been used to analyze the intrapeptide hydrogen bonds along the stretching coordinate. As the decaalanine helix is stretched, the initially stabilized i → i + 4 contacts (α-helix) is replaced by i → i + 3 contacts (3(10)-helix). No significant formation of i → i + 5 hydrogen bonds (π-helix) is observed. 相似文献
24.
Beulen MW Bugler J de Jong MR Lammerink B Huskens J Schonherr H Vancso GJ Boukamp BA Wieder H Offenhauser A Knoll W van Veggel FC Reinhoudt DN 《Chemistry (Weinheim an der Bergstrasse, Germany)》2000,6(7):1176-1183
We have developed synthesis routes for the introduction of short and long dialkylsulfides onto the primary side of alpha-, beta-, and gamma-cyclodextrins. Monolayers of these cyclodextrin adsorbates were characterized by electrochemistry, wettability studies, X-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (TOF-SIMS), and atomic force microscopy (AFM). The differences in thickness and polarity of the outerface of the monolayers were measured by electro-chemistry and wettability studies. On average about 70% of the sulfide moieties were used for binding to the gold, as measured by XPS. Tof-SIMS measurements showed that the cyclodextrin adsorbates adsorb without any bond breakage. AFM measurements revealed for beta-cyclodextrin monolayers a quasi-hexagonal lattice with a lattice constant of 20.6 A, which matches the geometrical size of the adsorbate. The alpha-cyclodextrin and gamma-cyclodextrin monolayers are less ordered. Interactions of the anionic guests 1-anilinonaphthalene-8-sulfonic acid (1,8-ANS) and 2-(p-toluidinyl)naphthalene-6-sulfonic acid (2,6-TNS) and the highly ordered monolayers of heptapodant beta-cyclodextrin adsorbates were studied by surface plasmon resonance (SPR) and electrochemical impedance spectroscopy. The SPR measurements clearly showed interactions between a beta-cyclodextrin monolayer and 1,8-ANS. Electrochemical impedance spectroscopy measurements gave high responses even at low guest concentrations (< or = 5 microM). The association constant for the binding of 1,8-ANS (K = 289,000 +/- 13,000M-1) is considerably higher than the corresponding value in solution. (Partial) methylation of the secondary side of the beta-cyclodextrin strongly decreases the binding. 相似文献
25.
Elif Gungor Mustafa Burak Coban Hulya Kara Yasemin Acar 《Journal of Cluster Science》2018,29(6):967-974
A new cubane-based cobalt(II) cluster, [Co4L4] (1), where H2L?=?2-((E)-(2-hydroxyethylimino) methyl)-4-chlorophenol has been prepared using a solvothermal process and characterized by structural, optical and magnetism. The crystal structure of 1 consists of a tetranuclear Co4O4 core in an open-cubane framework. Each cobalt(II) ion is penta-coordinated in a distorted square pyramidal geometry (τCo1=Co1i?=?0.030, τCo2=Co2i?=?0.023). Furthermore, the photoluminescence analysis indicates that 1 has a strong blue emission which should be attributed to coordination of the metal to the ligand. The temperature dependence of the magnetic susceptibilities of 1 shows antiferromagnetic coupling (J?=???26.61?±?0.01) between cobalt(II) ions. 相似文献
26.
A. Karahan R. Kurtaran Y. Yahsi E. Gungor H. Kara 《Journal of Structural Chemistry》2016,57(4):731-736
The μ-oxo-bridged Fe(III) dimer complex [{Fe(4-MeOL1)}2(μ-O)]?HOCH3, (H2-4-MeOL1 = N,N′-bis(4-methoxy-2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine), 1 is synthesized and characterized by single crystal X-ray diffraction. Complex 1 contains a [{Fe(4-MeOL1)}2(μ-O)] dimeric unit with a methanol solvent molecule of crystallization. Each Fe(III) ion has a distorted square-pyramidal coordination geometry. In the basal plane, the Fe(III) atom is coordinated by two N and two O atoms of the Schiff base ligand. The apical position is occupied by a bridging O2– ion, linking another Fe(III) ion in the complex. There are intermolecular C–H…O and C–H…π interactions among the dinuclear complexes. 相似文献
27.
28.
The proposed decision model, based on Analytic Network Process (ANP), has been developed in order to determine the dynamics
of the Global System for Mobile Communications (GSM) market. In accordance with the sequence of ANP, first of all, the problem
was structured and modeled. At the next step, a quantitative analysis was conducted with the customers in order to assess
the importance of the related factors and forecast the market shares of the Turkish mobile communication operators. The forecasted
market share values were compared with actual ones for the validation of the decision model. The assessed importance of the
factors in a valid model would be a potential competitive advantage for the mobile operators. 相似文献
29.
In this paper, we describe a new scattering kernel and general theoretical scheme for the evolution of the discrete and continuum eigenvalue spectrum in one-dimensional slab geometry neutron transport equation. Firstly, some useful properties of the Legendre polynomials which revealed during the definition of the new scattering kernel are discussed. By using the scattering kernel in one-dimensional neutron transport equation we obtained an integral equation for angular part of the angular flux. For the solution of this integral equation and eigenvalue equations, some comments are given. 相似文献
30.
Gungor E Kara H 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,82(1):217-220
A new hydrogen-bonded pseudo-dimer, [Mn(III)L1(CH3CH2OH)]2(ClO4) (1) (L1 = N,N′-bis(2-hydroxy-1-naphthalidenato)-1,2-diaminopropane) has been synthesized and characterized by UV–vis, IR, elemental analysis and crystal structure analysis. The single crystal X-ray diffraction reveals that the structure affords an elongated octahedral MnN2O4 coordination environment, geometry with the four donor atoms of the tetradentate Schiff base in the equatorial plane and with two ethanol molecule in axial positions with Mn–O = 2.265(2) and 2.266(2) Å. 相似文献