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1.
Crystal engineering, as a burgeoning technology, has been widely used to construct metalloporphyrins biomimetic catalysts. Herein, a bimetallic metal-organic framework (MOF) was constructed by 4-(4-carboxyphenyl)-1,2,4-triazole ligand, Co2+ and Zr4+ metal ions by solvothermal reaction(named PFC-88). A N,N-chelation site was found between the two adjacent ligands in PFC-88, consequently a porphyrin-like structure was obtained through chelating Fe3+ in this site by post-modification, named PFC-88-Fe. The result of a single crystal X-ray technology verified that Fe ions were successfully metalated in the N,N-chelation site of PFC-88, which is assisted by the X-ray absorption near-edge structure(XANES) spectra. An o-phenylenediamine oxidation reaction was applied to assessing the catalytic activity of PFC-88-Fe, in which the absorbance increases of phenazine-2,3-diamine at λ=418 nm were recorded by absorption spectroscopy in kinetic mode, exhibiting the application potential as a biomimetic catalyst. 相似文献
2.
Science China Chemistry - 相似文献
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Zhao Tianqi Luo Tianzi Fang Bo Shi Lijiang Jin Yongxing Zhou Pengwei Yao Dong Li Chenxia Jing Xufeng Hong Zhi 《Journal of Russian Laser Research》2021,42(5):586-597
Journal of Russian Laser Research - The zero-refractive-index metamaterials have excellent electromagnetic properties, which provide new ideas and methods to realize the control of electromagnetic... 相似文献
5.
Luo Laizhen Wang Jiamei Zhang Lin Jing Yangping 《International Journal of Theoretical Physics》2021,60(7):2642-2652
International Journal of Theoretical Physics - In this paper, we will consider the exact calculation of differential entropy of induced random state ensemble by partial tracing a subsystem over... 相似文献
6.
Qiang Chenxu Hao Yuxin Zhang Wei Li Jinqiang Yang Shaowu Cao Yuteng 《应用数学和力学(英文版)》2021,42(11):1555-1570
Applied Mathematics and Mechanics - The concept of local resonance phononic crystals proposed in recent years provides a new chance for theoretical and technical breakthroughs in the structural... 相似文献
7.
Jiang Rui-Yang Xin Jia-Wei Cao Cong 《International Journal of Theoretical Physics》2021,60(8):2836-2855
International Journal of Theoretical Physics - Quantum logic gates are the foundation of circuit-based quantum computation and quantum simulation. Multi-qubit quantum controlled gates are of vital... 相似文献
8.
化学工业生产中,用氢气为还原剂,通过选择性加氢可以制备多种重要化学品。5-羟甲基糠醛是重要的生物质基平台化合物,而5-甲基糠醛是用途广泛的化学品。由5-羟甲基糠醛加氢得到5-甲基糠醛是一条非常理想的路径,但是选择性活化C-OH非常困难。本文设计并制备了Pt@PVP/Nb2O5(PVP: 聚乙烯吡咯烷酮)催化剂,该催化体系巧妙地结合了位阻效应、氢溢流和催化剂界面的电子效应,系统研究了该催化剂对5-羟甲基糠醛选择性加氢制备5-甲基糠醛催化性能,在最优条件下,5-甲基糠醛的选择性可达92%。利用密度泛函理论计算研究了5-羟甲基糠醛选择性加氢制备5-甲基糠醛反应路径。 相似文献
9.
Bohuai Xiao Jianqiao Dong Zhiye Wang Xu Wang Mingjun Sun Jing Guo Gongming Qian Yunchuan Li Shuai Chang 《Chemphyschem》2022,23(7):e202100833
One important prerequisite for the fabrication of molecular functional device strongly relies on the understanding the conducting behaviors of the metal-molecule-metal junction that can respond to an external stimulus. The model Lewis basic molecule 4,4′-(pyridine-3,5-diyl)dibenzonitrile (DBP), which can react with Lewis acid and protic acid, was synthesized. Then, the molecular conducting behavior of DBP, DBP-B(C6F5)3, and DBP-TfOH (DBP-B(C6F5)3, and DBP-TfOH were produced by Lewis acid and protonic acid treatment of DBP) was researched and compared. Given that their identical physical paths for DBP, DBP-B(C6F5)3, and DBP-TfOH to sustain charge transport, our results indicate that modifying the molecular electronic structure, even not directly changing the conductive physical backbone, can tune the charge transporting ability by nearly one order of magnitude. Furthermore, the addition of another Lewis base triethylamine (of stronger alkaline than DBP), to Lewis acid-base pair reverts the electrical properties back to that of a single DBP junction, that is constructive to propose a useful but simple strategy for the design and construction of reversible and controllable molecular device based on pyridine derived molecule. 相似文献
10.
In this paper, we present and analyze an energy-conserving and linearly implicit scheme for solving the nonlinear wave equations. Optimal error estimates in time and superconvergent error estimates in space are established without certain time-step restrictions. The key is to estimate directly the solution bounds in the H2-norm for both the nonlinear wave equation and the corresponding fully discrete scheme, while the previous investigations rely on the temporal-spatial error splitting approach. Numerical examples are presented to confirm energy-conserving properties, unconditional convergence and optimal error estimates, respectively, of the proposed fully discrete schemes.
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