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91.
The geometry, frequency, and intensity of the vibrational bands of imidazo[1,2-a]pyridine (which is abbreviated as impy) were
obtained by the density functional theory (DFT) calculations with BLYP, B3LYP, and B3PW91 functionals and 6-31G(d) basis set.
The optimized geometric bond lengths and bond angles are in good agreement with the available X-ray data. The infrared spectrum
of imidazo[1,2-a]pyridine was computed by the DFT method in order to reproduce the vibrational wavenumbers and intensities
with an accuracy, which allows reliable vibrational assignments. Total energy distribution and isotopic shifts have been calculated
in order to help for the perfect assignment of the vibrational modes. The zinc halide complexes Zn(impy)2X2 [X = Cl, Br, and I] have also been synthesized. The compounds were characterized using the elemental analysis, FT-IR spectra,
and quantum chemical calculations. The geometry optimization of Zn(impy)2X2 yields distorted tetrahedral environment around Zn ion. 相似文献
92.
Phthalocyanines with four naphthyl-malonic ester groups on the periphery were synthesized by cyclotetramerization of 4-(1,1-dicarbethoxy-2-(1-naphthyl)-ethyl)-phthalonitrile.
The new compounds were characterized by spectroscopic methods. The electronic spectra exhibit intense π–π* transitions from
the naphthyl moiety together with the characteristic Q and B bands of the phthalocyanine core. The electrochemical properties
of the 2,9,17,23-tetra-(1,1-(dicarbethoxy)-2-(1-naphthyl)-ethyl) phthalocyaninato copper(II) complex were studied by cyclic
voltammetry. 相似文献
93.
For many industries (e.g., apparel retailing) managing demand through price adjustments is often the only tool left to companies once the replenishment decisions are made. A significant amount of uncertainty about the magnitude and price sensitivity of demand can be resolved using the early sales information. In this study, a Bayesian model is developed to summarize sales information and pricing history in an efficient way. This model is incorporated into a periodic pricing model to optimize revenues for a given stock of items over a finite horizon. A computational study is carried out in order to find out the circumstances under which learning is most beneficial. The model is extended to allow for replenishments within the season, in order to understand global sourcing decisions made by apparel retailers. Some of the findings are empirically validated using data from U.S. apparel industry. 相似文献
94.
A Riesz space E is said to have the b-property if each subset that is order bounded in the bidual remains to be order bounded in E. Properties of a Riesz space with the b-property, the relationship between the b-property and various classes of operators are studied. 相似文献
95.
96.
Şengül Dilem Doğan 《Tetrahedron》2017,73(16):2217-2224
A copper-mediated NS bond-forming reaction via NH/SH activation is described. This reaction occurs under mild conditions with high efficiency, step economy, and tolerates a wide variety of functional groups, providing an efficient means of accessing biologically important 1,2,4-benzothiadiazin-3(4H)-ones. 相似文献
97.
Microstructure of nickel nanoparticles embedded in carbon films: case study on annealing effect by micromorphology analysis 下载免费PDF全文
Ştefan Ţălu Miroslaw Bramowicz Slawomir Kulesza Azizollah Shafiekhani Maryam Rahmati Atefeh Ghaderi Mohammad Ahmadirad Shahram Solaymani 《Surface and interface analysis : SIA》2017,49(3):153-160
The presented study is aimed at analyzing the surface texture of amorphous hydrogenated carbon layers containing nickel nanoparticles (Ni‐NPs@a‐C:H) within their structure, which were deposited by Radio Frequency (RF) sputtering and RF‐Plasma Enhanced Chemical Vapor Deposition (RF‐PECVD) methods on glass substrates. Prepared films were then used as research material following their annealing at two different temperatures of 250 °C and 350 °C in an inert argon atmosphere. Series of height samples were taken with the help of atomic force microscopy (AFM) operating in a non‐contact mode and examined in order to determine their fractal characteristics. Raw AFM data were first plane‐fitted to remove the surface bow exhibiting the so‐called residual surface, and then numerically processed to calculate the Areal Autocorrelation Function (AACF), which was later used to compute the Structure Function (SF). The log–log plots of the latter served for calculation of fractal properties of surfaces under investigation, including fractal dimension D, and pseudo‐topothesy K. The analysis of 3‐D surface texture helps to understand their essential characteristics and their implications as well as graphical models and their implementation in computer simulation. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
98.
Nurcan Kurtoglu Mehmet Aslantaş Huseyin Zengin Ertan Şahin Mukerrem Kurtoglu 《Chemical Papers》2010,64(5):645-651
This study focuses on the preparation, single crystal X-ray diffraction, characterization, and optical properties of some
anthraquinone-based dyes. The anthraquinone-based antimicrobial dye N-{2-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-2-oxoethyl}-N,N-dimethylbutan-1-aminium chloride monohydrate (III) was obtained from 1-aminoanthraquinone (I) via 2-chloro-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide (II) using known preparation and characterization methods. Single crystal X-ray diffraction analysis of III revealed a monoclinic system, space group P21/n, Z = 4. Photoluminescence properties of anthraquinone dyes I–III were also investigated. These dyes gave an intense emission (λmax = 341 nm) upon the irradiation by UV light and showed photoluminescence quantum yields of 73 %, 66 %, and 61 % with long
excited-state lifetimes of 6.87 ns, 6.14 ns, and 5.69 ns, respectively. These anthraquinone dyes are of interest as an organic
light emitting material for electroluminescent devices. 相似文献
99.
A detailed study of the electrochemical oxidation of Benzo[a]pyrene (BaP) at the glassy carbon and pencil graphite electrodes was carried out in aqueous and nonaqueous media. Using square‐wave stripping mode, the compound yielded a well‐defined voltammetric response at pencil graphite electrode in acetate buffer, pH 4.8 at +1.13 V (vs. Ag/AgCl) (a preconcentration step being carried out at a fixed potential of +0.70 V for 180 s). The process could be used to determine BaP concentrations in the range 0.25–1.25 μM, with a detection limit of 0.027 μM (6.82 μg L?1). The applicability to assay of spiked human urine samples was also illustrated. 相似文献
100.
A separation/preconcentration procedure based on the coprecipitation of Pb(II), Fe(III), Co(II), Cr(III) and Zn(II) ions with copper(II)-N-benzoyl-N-phenyl-hydroxylamine complex (Cu-BPHA) has been developed. The analytical variables including pH, amount of BPHA, amount of copper(II) as carrier element, and sample volume were investigated for the quantitative recoveries of the elements. No interfering effects were observed from the concomitant ions when present in real samples. The recoveries of the analyte ions were in the range of 95–100%. The detection limits (3 s) for Pb(II), Co(II), Fe(III), Cr(III) and Zn(II) ions were found to be 2.3, 0.7, 0.7, 0.3 and 0.4 µg L?1, respectively. The validation of the procedure was performed by the analysis of CRM (SRM NIST-1547 peach leaves and LGC6019 river water) standard reference materials. The method was applied to the determination of the analytes in real samples including natural waters, hair, urine, soil, sediment and peritoneal fluids samples etc., and good results were obtained (relative standard deviations <4%, recoveries >95%). 相似文献