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21.
《Journal of Dispersion Science and Technology》2013,34(5):585-592
Abstract This article discusses the like‐charge attraction of colloidal spheres close to a charged plate and compares results produced by an electrostatic and a hydrodynamic model with experimental data. Hydrodynamic coupling is shown to be the dominating effect, while the electrostatic influence may often be neglected. Some observations, however, can be explained only by means of a combined electrostatic–hydrodynamic model, which is derived in this work. The combined model is able to predict not only the attractive force between particles of similar charge close to a charged plate but also the change to a purely repulsive force once the sphere‐plate distance is further reduced. This prediction matches qualitatively results of experiments reported in the literature. 相似文献
22.
Sang‐Mi Park Kyoung‐Soo Yook Woo‐Hyung Lee Yongtaek Hong Jun‐Yeob Lee In‐Nam Kang 《Journal of polymer science. Part A, Polymer chemistry》2013,51(23):5111-5117
Two new thermally crosslinkable hole‐transporting polymers, X‐PTPA and X‐PCz, were synthesized via Yamamoto coupling reactions. The number‐averaged molecular weights (Mn) of X‐PTPA and X‐PCz were found to be 45,000 and 48,000, respectively, and therewith, polydispersity indices were of 1.8 and 1.7, respectively. Thermally crosslinked X‐PTPA and X‐PCz exhibit excellent solvent resistance and stable optoelectronic properties. The UV–visible maximum absorption peaks of X‐PTPA and X‐PCz in the thin film state are at 389 and 322 nm, respectively. The HOMO levels of X‐PTPA and X‐PCz are estimated to be ?5.27 and ?5.39 eV, respectively. Multilayered devices (ITO/crosslinked X‐PTPA or X‐PCz/SY‐PPV/LiF/Al) were fabricated with SY (SuperYellow) as the emitting layer. The maximum efficiency of the multilayered device with a crosslinked X‐PTPA layer is approximately three times higher than that of the device without a crosslinked X‐PTPA layer and much higher than that of the crosslinked X‐PCz device. This result can be explained by the observations that crosslinked X‐PTPA produces increased electron accumulation within the emitter, SY, and also efficient exciton formation due to improved charge balance. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013 , 51, 5111–5117 相似文献
23.
24.
G. T. Ruiz A. G. Lappin G. Ferraudi 《Journal of polymer science. Part A, Polymer chemistry》2012,50(12):2507-2515
The mechanisms of the redox reactions between a polymer containing Al(III) sulfonated phthalocyanine pendants, (AlIII(?NHS(O2)trspc)2?)2, and radicals have been investigated in this work. Pulse radiolysis and photochemical methods were used for these studies. Oxidizing radicals, OH?, HCO3?, (CH3)2COHCH2?, and N3?, as well as reducing radicals, eaq?, CO2??, and (CH3)2C?OH, respectively accept or donate one electron forming pendent phthalocyanine radicals, AlIII(?NHS(O2)trspc ?)? or 3?. The kinetics of the redox processes is consistent with a mechanism where the pendants react with radicals formed inside aggregates of five to six polymer strands. Electron donating radicals, that is, CO2?? and (CH3)2C?OH, produce one‐electron reduced phthalocyanine pendants that, even though they were stable under anaerobic conditions, donated charge to a Pt catalyst. While the polymer was regenerated in the Pt catalyzed processes, 2‐propanol and CO2 were respectively reduced to propane and CO. The reaction of SO3?? radicals with the polymer stood in contrast with the reactions of the radicals mentioned above. A first step of the mechanism, the coordination of the SO3?? radical to the Al(III), was subsequently followed by the formation of a SO3?? ‐ phthalocyanine ligand adduct. The decay of the SO3?? ‐ phthalocyanine ligand adduct in a ~102 ms time domain regenerates the polymer, and it was attributed to the dimerization/disproportionation of SO3?? radicals escaping from the aggregates of polymer. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012 相似文献
25.
Anna Hayer Tanguy Van Regemorter Bianca Höfer Chris S. K. Mak David Beljonne Anna Köhler 《Journal of Polymer Science.Polymer Physics》2012,50(5):361-369
Although carbazole‐containing copolymers are frequently used as hole‐transporting host materials for polymer organic light‐emitting diodes (OLEDs), they often suffer from the formation of undesired exciplexes when the OLED is operated. The reason why exciplexes sometimes form for electrical excitation, yet not for optical excitation is not well understood. Here, we use luminescence measurements and quantum chemical calculations to investigate the mechanism of such exciplex formation for electrical excitation (electroplex formation) in a carbazole–pyridine copolymer. Our results suggest that the exciplex is formed via a positively charged interchain precursor complex. This complex is stabilized by interactions that involve the nitrogen lone pairs on both chain segments. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012 相似文献
26.
Paula Gomes Maria João Araújo Eduardo F. Marques Soraia Falcão Rodrigo O. Brito 《合成通讯》2013,43(12):2025-2036
Double-chained surfactants with potential biocompatibility have been prepared in high yields by lysine acylation with four natural saturated fatty acids (C6 to C12) and with cis-undec-5-enoic acid. The surfactants were found to assemble into nanotubules in aqueous medium and, when mixed with a commercial cationic surfactant, to spontaneously form liposomes. 相似文献
27.
Thomas A. Manz 《Journal of computational chemistry》2013,34(5):418-421
In recent years, several methods have been developed that partition the electron density among atoms using spherically symmetric atomic weights. D. E. P. Vanpoucke, P. Bultinck, and I. Van Driessche (J. Comput. Chem. 2012, doi: 10.1002/jcc.23088) recently reported a periodic implementation of the Hirshfeld‐I method that uses a combination of Becke‐style and uniform integration grids and modified atomic reference densities to compute net atomic charges in periodic materials. Herein, this method is discussed in the context of earlier periodic implementations of the Hirshfeld‐I method, the Iterated Stockholder Atoms method, and the density derived electrostatic and chemical method. 相似文献
28.
Dr. Ori Gidron Dr. Yael Diskin‐Posner Prof. Michael Bendikov 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(39):13140-13150
The extent of charge delocalization and of conjugation in oligofurans and oligothiophenes was studied by using mixed valence systems comprising oligofurans and oligothiophenes capped at both ends by ferrocenyl redox units. Using electrochemical, spectral, and computational tools, we find strong charge delocalization in ferrocene‐capped oligofurans which was stronger than in the corresponding oligothiophene systems. Spectroscopic studies suggest that the electronic coupling integral (Hab) is roughly 30–50 % greater for oligofuran‐bridged systems, indicating better energy matching between ferrocene units and oligofurans. The distance decay constant (damping factor), β, is similar for oligofurans (0.066 A?1) and oligothiophenes (0.070 A?1), which suggests a similar extent of delocalization in the bridge, despite the higher HOMO–LUMO gap in oligofurans. Computational studies indicate a slightly larger extent of delocalization in furan‐bridged systems compared with thiophene‐bridged systems, which is consistent with oligofurans being significantly more rigid and less aromatic than oligothiophenes. High charge delocalization in oligofurans, combined with the previously reported strong fluorescence, high mobility, and high rigidity of oligofuran‐based materials makes them attractive candidates for organic electronic applications. 相似文献
29.
《印度化学会志》2022,99(11):100767
The optimized geometric parameters of the 2-Amino-6-chlorofluoren-9-one (2A6CF9O) compound were estimated by employing density functional theory. The electronic characteristics of the molecule were explored using molecular frontier orbital energies and the MEP surface. Kamlet's and Catalan's multiple linear regression techniques along with different polarity functions were used to investigate the influence of pure solvents on spectral properties. In the system, both general solute-solvent and hydrogen bonding interactions are active. However, as compared to normal solute-solvent interactions, hydrogen bonding interactions have a smaller role. In addition, using computed ground state dipole moment, solvatochromic correlations were employed to infer excited state dipole moment. 相似文献
30.
Yantao Pang Anoop Thomas Kalaivanan Nagarajan Robrecht M. A. Vergauwe Kripa Joseph Bianca Patrahau Kuidong Wang Cyriaque Genet Thomas W. Ebbesen 《Angewandte Chemie (International ed. in English)》2020,59(26):10436-10440
It is well known that symmetry plays a key role in chemical reactivity. Here we explore its role in vibrational strong coupling (VSC) for a charge‐transfer (CT) complexation reaction. By studying the trimethylated‐benzene–I2 CT complex, we find that VSC induces large changes in the equilibrium constant KDA of the CT complex, reflecting modifications in the ΔG° value of the reaction. Furthermore, by tuning the microfluidic cavity modes to the different IR vibrations of the trimethylated benzene, ΔG° either increases or decreases depending only on the symmetry of the normal mode that is coupled. This result reveals the critical role of symmetry in VSC and, in turn, provides an explanation for why the magnitude of chemical changes induced by VSC are much greater than the Rabi splitting, that is, the energy perturbation caused by VSC. These findings further confirm that VSC is powerful and versatile tool for the molecular sciences. 相似文献