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151.
152.
Paulo A. R. Pires Muhammad Imran Carina Loffredo Paulo M. Donate Daniel Previdi Omar A. El Seoud 《Journal of Physical Organic Chemistry》2013,26(3):280-285
The effects of solvents on chemical phenomena (rate and equilibrium constants, spectroscopic transitions, etc.) are conveniently described by solvation free‐energy relationships that take into account solvent acidity, basicity and dipolarity/polarizability. The latter can be separated into its components by manipulating the UV–vis spectra of two solvatochromic probes, 2‐(N,N‐dimethylamino)‐7‐nitrofluorene (DMANF) and a di‐(tert‐butyl)‐tetramethyl docosanonaen probe (ttbP9) whose synthesis is laborious and expensive. Recently, we have shown that the natural dye β‐carotene can be conveniently employed instead of ttbP9 for the determination of solvent polarizability (SP) of 76 molecular solvents and four ionic liquids. In the present work, we report the polarizabilities of further 24 solvents. Based on the solvatochromism of β‐carotene and DMANF, we have calculated solvent dipolarity (SD) for 103 protic and aprotic molecular solvents, and ionic liquids. The dependence of SD and SP on the number of carbon atoms in the acyl‐ or alkyl group of several homologous series (alcohols; 2‐alkoxyethanols; carboxylic acid‐ anhydrides, and esters, ionic liquids) is calculated and briefly discussed. Copyright © 2013 John Wiley & Sons, Ltd. 相似文献
153.
E. Keyvanshokooh M. Fattahi S.M. Seyed-Hosseini R. Tavakkoli-Moghaddam 《Applied Mathematical Modelling》2013
During the last decade, the stringent pressures from environmental and social requirements have spurred an interest in designing a reverse logistics network. In this paper, we address the problem of designing and planning a multi-echelon, multi-period, multi-commodity and capacitated integrated forward/reverse logistics network. Returned products are categorized with respect to their quality levels, and a different acquisition price is offered for each return type. Furthermore, the reservation incentive of customers, the expected price of customers for one unit of used product described by uniform distribution, is applied to model the customers’ return willingness. Due to the fact that the remaining worthwhile value in the used products is the corporation’s key motivation for buying them from customers, a dynamic pricing approach is developed to determine the acquisition price for these products and based on it determine the percentage of returned products collected from customer zones. The used products’ acquisition prices at each time period are determined based on the customers’ return willingness by each collection center. 相似文献
154.
Xue-Mei Gao Wen Ma Gang Jin Jing-Zhe Li Xue-Wen Wei 《Journal of Coordination Chemistry》2019,72(22-24):3518-3525
AbstractIn order to develop an easy and rapid identification method for distinguishing CH3OH from C2H5OH, a new carbonate-based trinuclear Cu(II) precursor, [Cu3(bpy)6(μ3-CO3)(CH3OH)](BF4)4·(CH3OH)2·(H2O)2 (1), has been isolated. We report here the synthesis, crystal structure, and characterizations by various spectroscopic (IR, UV–Vis, powder XRD) techniques, as well as the solvatochromic behavior of this coordination compound. Its X-ray crystal structure reveals that the main structure of 1 consists of three [(bpy)2Cu]2+ centers, which are bridged by carbonate via a μ3-η1,η1,η1 fashion. Strong O–H?O hydrogen bonding between the carbonate and solvent molecules has been observed for the first time in similar structures. Its ground powder exhibits solvatochromic behavior that selectively distinguishes CH3OH from C2H5OH. 相似文献
155.
Phil M. Pithan Christopher Kuhlmann Prof. Dr. Carsten Engelhard Prof. Dr. Heiko Ihmels 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(70):16088-16098
A series of new 5-mono- and 5,5′-bisamino-substituted azothiazole derivatives was synthesized from the readily available diethyl azothiazole-4,4′-dicarboxylate. This reaction most likely comprises an initial Michael-type addition by the respective primary alkyl and aromatic amines at the carbon atom C5 of the substrate. Subsequently, the resulting intermediates are readily oxidized by molecular oxygen to afford the amino-substituted azothiazole derivatives. The latter exhibit remarkably red-shifted absorption bands (λabs=507–661 nm) with high molar extinction coefficients and show a strong positive solvatochromism. As revealed by spectrometric titrations and circular and linear dichroism studies, the water-soluble, bis-(dimethylaminopropylamino)-substituted azo dye associates with duplex DNA by formation of aggregates along the phosphate backbone at high ligand–DNA ratios (LDR) and by intercalation at low LDR, which also leads to a significant increase of the otherwise low emission intensity at 671 nm. 相似文献
156.
Dr. Nico Röder Dr. Tomasz Marszalek Daniel Limbach Prof. Wojciech Pisula Prof. Heiner Detert 《Chemphyschem》2019,20(3):463-469
π-Conjugated molecules with the shape of St. Andrew′s cross have been synthesized via fourfold Huisgen reaction. Four 2,5-diaryl-1,3,4-oxadiazol arms are attached to a central pyrazine nucleus. These fluorescent stars, when decorated with a rim of eight alkoxy side chains are discotic liquid crystals. Depending on the substitution pattern, the width of the liquid phase varies within a broad range of 25 °C to 250 °C. In their liquid crystalline phase, the molecules assemble in a typical hexagonal columnar supramolecular arrangement. 相似文献
157.
Dr. Kifah S. M. Salih 《ChemistryOpen》2022,11(2):e202100237
A new series of azomethine-functionalized compounds was synthesized from the condensation of 2-hydroxy-1,3-propanediamine and 2-thienylcarboxaldehydes in the presence of a drying agent. The derivatives were spectroscopically characterized by NMR, LC-MS, UV/Vis, IR and elemental analysis. Variable temperature 1H-NMR (−60 to +60 °C) was performed to investigate the effect of solvent polarity; the capability of solvent to form H-bond was found to dramatically influencing the tautomerization process of the desired structures. The calculated thermochemical parameters (ΔH298, ΔG298 and ΔS298) at DFT and MP2 levels of theory explained that 3 b exists in equilibrium with two tautomers. The basis of the electronic absorptions was pursued through Time-Dependent Density-Functional Theory (TD-DFT). Analysis of the structural surfaces was inspected and the molecular electrostatic potential (MEP) demonstrated that the three functionalized compounds were relatively analogous in the electronic distributions. Furthermore, the electrophilic and nucleophilic centers lying on the molecular surfaces were probably playing a key-role in stabilizing the compounds through the nonclassical C−H⋅⋅⋅π interactions and hydrogen bonding. The impact of solvent polarity on absorption spectra were investigated via solvatochromic shifts. For instance, compound 3 c displayed a gradual shift of the maximum absorption to the red area when the solvent polarity was increased, recording a 21 nm of bathochromic shift. In contrast, no significant solvent-effect on 3 a and 3 b was observed. The solvation relation was pursued between Gutmann's donicity numbers the experimental λmax; exhibited almost positive linear performance with a minor oscillation, that ascribe to the possible weak interface between the molecules of solute and designated solvents. The bandgap energy of all products were assessed experimentally using optical absorption spectra following Tauc approach, giving −4.050 ( 3 a ), −3.900 ( 3 b ) and −3.210 ( 3 c ) eV. However, the ΔE were computationally figured out from TD-DFT simulation to be −4.258 ( 3 a ), −4.022 ( 3 b ) and −3.390 ( 3 c ) eV. 相似文献
158.
159.
Haicun Yang Shuipi Cai Yu Jiang Zheng Cao Wenzhong Ma Fanghong Gong Guoliang Tao Chunlin Liu 《Journal of polymer science. Part A, Polymer chemistry》2022,60(10):1571-1587
The commonly used multi-center initiation methods always lead to the formation of quantities of homopolymer in the surface tailoring based on reverse atom transfer radical polymerization (ATRP) and reversible addition-fragmentation chain-transfer (RAFT) polymerization. In this study, a monocenter redox pair constructed of silica bearing tert-butyl hydroperoxide groups and ascorbic acid (SiO2-TBHP/AsAc) was applied to substitute the commonly used initiation method of R-supported RAFT grafting polymerization. All the propagating radicals were restricted on the surface of solid particles during the whole procedure theoretically, resulting in a higher grafting efficiency of 95.1% combined with the “controllable” feature at 10 h. This redox pair was also used to initiate the reverse ATRP in miniemulsion successfully with a grafting efficiency of 86.3% at 10 h. The grafting efficiency obtained under this monocenter initiation method was significantly higher than that of the frequently reported surface modification by reverse ATRP and RAFT polymerization. In addition, the high-efficient surface tailoring was traced and confirmed by nuclear magnetic resonance, Fourier transform infrared, X-ray photoelectron spectroscopy, thermogravimetric analysis, transmission electron microscopy, and other analysis tests. The advantage of this monocenter redox pair will open a new avenue for the potential “high-efficient” surface tailoring of various materials. 相似文献
160.