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The X-ray crystal structures of a series of lithium quinolates – lithium 8-hydroxyquinolinate (Liq), lithium 2-methyl-8-hydroxyquinolinate (MeLiq), and 2-phenyl-8-hydroxquinolinate (PhLiq), are compared. The substitution at the 2-position of the 8-hydroxyquinoline ligand has significant impact on the aggregation of the lithium complex in the crystalline state. Liq and MeLiq molecules crystallize as hexamers, whereas PhLiq crystallizes as a tetramer. The possible influence of crystal-packing forces on the preferred cluster structure was probed using density functional theory calculations on a systematically varied set of Liq, MeLiq, and PhLiq clusters. For Liq and MeLiq, the observed structures match the most stable computed structures. In the PhLiq case, the observed tetrameric structure is computed to be less stable (+1.2 kcal/mol/monomer) than the lowest energy structure, a hexamer. In this case, solid-state effects probably outweigh small differences in cluster stability. 相似文献
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Phenothiazine-based covalent organic frameworks with low exciton binding energies for photocatalysis
Weitao Wang Haotian Wang Xiaohui Tang Jinlei Huo Yan Su Chuangye Lu Yujian Zhang Hong Xu Cheng Gu 《Chemical science》2022,13(29):8679
Designing delocalized excitons with low binding energy (Eb) in organic semiconductors is urgently required for efficient photochemistry because the excitons in most organic materials are localized with a high Eb of >300 meV. In this work, we report the achievement of a low Eb of ∼50 meV by constructing phenothiazine-based covalent organic frameworks (COFs) with inherent crystallinity, porosity, chemical robustness, and feasibility of bandgap engineering. The low Eb facilitates effective exciton dissociation and thus promotes photocatalysis by using these COFs. As a demonstration, we subject these COFs to photocatalytic polymerization to synthesize polymers with remarkably high molecular weight without any requirement of the metal catalyst. Our results can facilitate the rational design of porous materials with low Eb for efficient photocatalysis.We report the construction of phenothiazine-based covalent organic frameworks, which exhibited diverse structures, the feasibility of bandgap engineering, and unprecedented ultralow exciton binding energy of ∼50 meV for photocatalytic polymerization. 相似文献
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Yingzi Peng Dexuan Huo Liang Zheng Zhenghong Qian 《Particle & Particle Systems Characterization》2012,29(1):3-7
ZnO microstructures have been grown from zinc chloride (ZnCl2) and ammonia solution at 100 °C for 1 – 24 hours. X‐ray diffraction, scanning electron microscope and field‐emission scanning microscope were utilized to investigate the structural properties and morphology of the ZnO crystals. Structural investigations show that phase‐pure hexagonal structure ZnO has been successfully synthesized, and the hexagonal structure ZnO can be achieved in solutions with an appropriate range of concentrations. Under our experimental conditions, several different morphologies of ZnO structures were obtained, including flower‐like and bar flower‐like. The relationship between the morphology and experimental conditions are discussed. 相似文献
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Aperiodic molybdenum/silicon (Mo/Si) multilayer designed as a broadband reflective mirror with mean reflectivity of 10% over a wide wavelength range of 12.5-28.5 nm at incidence angle of 5° is developed using a numerical optimized method. The multilayer is prepared using direct current magnetron sputtering technology. The reflectivity is measured using synchrotron radiation. The measured mean reflectivity is 7.0% in the design wavelength range of 12.5-28.5 nm. This multilayer broadband reflective mirror can be used in extreme ultraviolet measurements and will greatly simplify the experimental arrangements. 相似文献
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Recent advances in theoretical models of respiratory mechanics 总被引:1,自引:0,他引:1
As an important branch of biomedical engineering, respiratory mechanics helps to understand the physiology of the respiratory system and provides fundamental data for developing such clinical technologies as ventilators. To solve different clinical problems, researchers have developed numerous models at various scales that describe biological and mechanical properties of the respiratory system. During the past decade, benefiting from the continuous accumulation of clinical data and the dramatic progress of biomedical technologies (e.g. biomedical imaging), the theoretical modeling of respiratory mechanics has made remarkable progress regarding the macroscopic properties of the respiratory process, complexities of the respiratory system, gas exchange within the lungs, and the coupling interaction between lung and heart. The present paper reviews the advances in the above fields and proposes potential future projects. 相似文献
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The temperature fields and the energy dissipations of shape memory alloys during the stress-induced martensitic transformations are studied theoretically and experimentally. The effect of the loading rate is analyzed. It was found that the temperature field inside a shape memory alloy sample varies strongly in space and time. The increase rate of the temperature is given by the difference between the rate of the latent heat release and the rate of the heat convection and conduction. The notion and the rate dependence of the energy dissipation are discussed in connection with the stress–strain hysteresis, the entropy production, and the Clausius–Duhem inequality. 相似文献
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In the present paper, we introduce some new subclasses of meromorphic starlike,convex, close-to-convex and quasi-convex functions of β-reciprocal in terms of the linear operator using subordination. We obtain the coefficient estimates, convolution properties, integral preserving properties and inclusion relationships of the classes. The results presented here include several results as their special cases. 相似文献