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91.
Koser's reagent is found to be effective in the oxidative double dehydrogenation of various carbocyclic β-dicarbonyl compounds,which constitutes the first example on dehydrogenation reactivity of hypervalent iodine(Ⅲ) reagents for carbocyclic carbonyl compounds. DFT calculations reveal that the rate-determining step is the electrophilic addition of PhI+OH onto enolate of monodehydrogenated product. 相似文献
92.
Dr. Yuan Liu Dr. Jin-Cheng Liu Teng-Hao Li Zeng-Hui Duan Dr. Tian-Yu Zhang Ming Yan Dr. Wan-Lu Li Prof. Dr. Hai Xiao Prof. Dr. Yang-Gang Wang Prof. Dr. Chun-Ran Chang Prof. Dr. Jun Li 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(42):18745-18749
The direct, nonoxidative conversion of methane on a silica-confined single-atom iron catalyst is a landmark discovery in catalysis, but the proposed gas-phase reaction mechanism is still open to discussion. Here, we report a surface reaction mechanism by computational modeling and simulations. The activation of methane occurs at the single iron site, whereas the dissociated methyl disfavors desorption into gas phase under the reactive conditions. In contrast, the dissociated methyl prefers transferring to adjacent carbon sites of the active center (Fe1©SiC2), followed by C−C coupling and hydrogen transfer to produce the main product (ethylene) via a key −CH−CH2 intermediate. We find a quasi Mars–van Krevelen (quasi-MvK) surface reaction mechanism involving extracting and refilling the surface carbon atoms for the nonoxidative conversion of methane on Fe1©SiO2 and this surface process is identified to be more plausible than the alternative gas-phase reaction mechanism. 相似文献
93.
Xinxin Lin Prof. Zheng Fang Cuilian Zeng Chenlong Zhu Xinyan Pang Chengkou Liu Wei He Jindian Duan Ning Qin Prof. Kai Guo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(60):13738-13742
A non-oxidant and metal-free strategy for synthesizing iso-coumarin by using a continuous electrochemical microreactor to initiate an oxidative cyclization reaction of o-(1-alkynyl) benzoate and radicals. This efficient and clean continuous electrosynthesis method not only avoids the complicated gas protection operation and production of by-products in the batch processes, but also help to overcome the difficulty that batch metal catalysis and electrocatalysis are difficult to scale up, and has the potential for pilot-scale experiment. 相似文献
94.
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96.
Chang-Yong Zhu Shi-Han Zheng Hou-Jian Duan Ming-Xun Deng Rui-Qiang Wang 《Frontiers of Physics》2020,15(2):23602-86
We study the Andreev reflection(AR)at the interface of the topological insulator with hexagonal warping and superconductor junction.Due to the hexagonal warping effect,the double ARs are found in a certain range of the incident angle,where for one incident electron beam,two beams of holes are reflected back.Interestingly,both the beams of holes are reflected as retro-AR on the same side of the normal line of the interface but with different reflection angles,different from the previously reported double AR with one retro-AR and one specular-AR.The double reflections owing to the warping effect show the optics-like property of the Dirac fermion and can stimulate the double reflections of light in anisotropic crystals.In addition,we find that the double ARs are dependent on the hexagonal warping parameter nonmonotonically,and in an intermediate strength the double AR phenomenon is prominent,providing a possibility to explore the warping parameter of topological insulators. 相似文献
97.
Metal-Free,Visible-Light-Induced Selective C−C Bond Cleavage of Cycloalkanones with Molecular Oxygen
Hong Xin Prof. Dr. Xin-Hua Duan Dr. Le Liu Prof. Dr. Li-Na Guo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(51):11690-11694
A metal-free, visible-light-induced oxidative C−C bond cleavage of cycloketones with molecular oxygen is described. Cooperative Brønsted-acid catalysis and photocatalysis enabled selective C−C bond cleavage of cycloketones to generate an array of γ-, δ- and ϵ-keto esters under very mild conditions. Mechanistic studies indicate that singlet molecular oxygen (1O2) is responsible for this transformation. 相似文献
98.
Shuai Zhang Xiaofeng Duan Gongqing Li Kai Liu Yongqing Huang Xiaomin Ren 《Optical and Quantum Electronics》2018,50(8):320
We report a high-reflectivity non-periodic sub-wavelength gratings (SWGs) mirror with small-angle beam-steering ability for reflect light. It presents a distinctive characteristic of flexibly controlling the width of oscillation optical field for the improved Fabry–Perot (F–P) cavity. We propose a detailed principle analysis of the improved cavity. By finding out a set of SWGs with the designed structural parameters, both high reflectivity (>?93%) and beam steering (1°) can be implemented. By setting beam-steering angle and cavity length, we can control the width of oscillation optical field in the improved cavity. Beam steering ability and property of controlling the oscillation width are numerically investigated by finite element method. Simulation results prove that cavity length and steering angle can effectively control the main width of oscillation optical field, and the width is linearly associated with the cavity length. 相似文献
99.
Wen-Yan Tian Xiao-Yu Kuang Mei-Ling Duan Rui-Peng Chai Cai-Xia Zhang 《Physica B: Condensed Matter》2009,404(21):3114-4336
A theoretical method for studying the inter-relation between electronic and molecular structure has been proposed based on the complete energy matrices for a d3 configuration ion in a tetragonal ligand-field. By means of this method, the local structure for Cr3+ ion doped in oxides TiO2 (anatase) and MgO has been determined. The calculated results indicate that the local structure of the (CrO6)9− cluster in TiO2:Cr3+ and MgO:Cr3+ systems exists as a compressed distortion relative to the regular octahedron. Meanwhile, the dependence of the EPR zero-field splitting parameter D on the local structure parameter ΔR (ΔR=R1−R2) has been revealed. In addition, the relation between the EPR g-factors (g,g,Δg) and the orbit reduction factor k has been discussed for the two systems, suggesting that the orbit reduction factor k is very important to understand the EPR g-factors. 相似文献
100.
忆阻器是一种具有记忆功能和纳米级尺寸的非线性元件, 作为混沌系统的非线性部分, 能够使系统的物理尺寸大大减小, 同时可以得到各种丰富的非线性曲线, 提高混沌系统的复杂度和信号的随机性. 因此, 本文采用离子迁移忆阻器的磁控模型设计了一个新的混沌系统. 通过理论推导、数值仿真、Lyapunov指数谱、分岔图和Poincaré截面图研究了系统的基本动力学特性, 并分析了改变不同参数时系统动力学行为的变化. 同时, 建立了模拟该系统的SPICE电路, SPICE仿真结果与数值分析相符, 从而验证该混沌系统的混沌产生能力. 最后, 利用线性反馈同步控制方法实现了新构造的离子迁移忆阻混沌系统的同步, 并且采用该同步方法有效实现了语音信号的保密通信. 数值仿真证实了新混沌系统的存在性以及同步控制应用的可行性. 相似文献