Acta Chimica Sinica 2021, 79(9)

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- About the Cover:
  
  A nickel-catalyzed regioselective α,β-diarylation of α,β-unsaturated aldehydes to triaryl-substituted propionaldehydes with arylmagnesium bromides and arylbromides as the arylating reagents with the aid of aldimine group has been established, which provides a readily access to natural product Quebecol from coniferylaldehyde. [Meiming Luo et al. on page 1118-1122.]
- About the Cover:
  
  In order to screen out the optimal catalyst structure with excellent catalytic performance, herein, we systematically described the thermodynamic stability and catalytic performance of a series of transition-metal-doped carbon material catalysts for nitrogen reduction reaction (NRR) by means of density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. The results suggested that VN3C1 catalyst exhibits the best performance via a NRR enzymatic pathway under the actual water ambient condition with solvation model, which has a lowest change value of free energy of 0.35 eV (at U＝0 V vs. RHE) for potential-determining step. [Li Li et al. on page 1138-1145.]
2021, 79(9)

15 September 2021
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Perspective Review Communication Article

Perspective

Research Progress on EWG-Substituted N-Arylsulfonylhydrazones as the Diazo Compound Precursor

Yeming Wang, Hongwei Wang, Zhaohong Liu

Acta Chimica Sinica 2021, 79 (9), pp 1085-1096 DOI: 10.6023/A21040179

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Review

Applications of Hyaluronic Acid Nanomaterials in Fluorescence/Photoacoustic Imaging and Phototherapy

Lixiang Pan, Yanqin Huang, Kuang Sheng, Rui Zhang, Quli Fan, Wei Huang

Acta Chimica Sinica 2021, 79 (9), pp 1097-1106 DOI: 10.6023/A21050219

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Communication

Ir-catalyzed Sequential Asymmetric Allylic Substitution/Olefin Isomerization for the Synthesis of Axially Chiral Compounds

Qing-Ru Zhao, Ru Jiang, Shu-Li You

Acta Chimica Sinica 2021, 79 (9), pp 1107-1112 DOI: 10.6023/A21070320

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Synthesis of Piperazine Quaternary Ammonium Alkali Catalyst and Its Application in Isocyanate Polymerization

Xintong Xu, Weimin Tan, Mengyuan Ji, Yue Yang, Xingxing Rao, Xinliang Luo, Yanhua Zhang, Hongyu Chen

Acta Chimica Sinica 2021, 79 (9), pp 1113-1117 DOI: 10.6023/A21060300

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Article

Ni-Catalysed Regioselective α,β-Diarylation of α,β-Unsaturated Aldehydes

Junyao Xie, Xiaoming Zeng, Meiming Luo

Acta Chimica Sinica 2021, 79 (9), pp 1118-1122 DOI: 10.6023/A21060262

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Construction of Three-dimensional Ion-conducting Channels of Poly(vinylidene fluoride) Membranes and Their Performance in Vanadium Redox Flow Battery

Feiran Wang, Fengjing Jiang

Acta Chimica Sinica 2021, 79 (9), pp 1123-1128 DOI: 10.6023/A21050231

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Microwave-assisted Synthesis of rGO/CeO₂ Supercapacitor Electrode Materials with Excellent Electrochemical Properties

Yao Zhai, Guoxiang Xin, Jiaqi Wang, Bangwen Zhang, Jinling Song, Xiaoxu Liu

Acta Chimica Sinica 2021, 79 (9), pp 1129-1137 DOI: 10.6023/A21050216

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Theoretical Research on Catalytic Performance of TMN_xC_y Catalyst for Nitrogen Reduction in Actual Water Solvent

Kun Xiong, Jiayao Chen, Na Yang, Shangkun Jiang, Li Li, Zidong Wei

Acta Chimica Sinica 2021, 79 (9), pp 1138-1145 DOI: 10.6023/A21040136

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Theoretical Study on the Structural Stability and Oxygen Ion Oxidation of Al-doped Lithium-ion Battery Layered Cathode Li(Li_0.17Ni_0.17Al_0.04Fe_0.13Mn_0.49)O₂

Kai Qiu, Mingxia Yan, Shouwang Zhao, Shengli An, Wei Wang, Guixiao Jia

Acta Chimica Sinica 2021, 79 (9), pp 1146-1153 DOI: 10.6023/A21040178

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Directional Monte Carlo Lattice Search Algorithm for the Structure Search of Alumina Clusters (Al₂O₃)_n (n=1~50)

Ji Sun, Jiuqi Yi, Longjiu Cheng

Acta Chimica Sinica 2021, 79 (9), pp 1154-1163 DOI: 10.6023/A21050207

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Mechanism of Silyl Enol Ethers Hydrogenation Catalysed by Frustrated Lewis Pairs: A Theoretical Study

Yinghui Wang, Simin Wei, Jinwei Duan, Kang Wang

Acta Chimica Sinica 2021, 79 (9), pp 1164-1172 DOI: 10.6023/A21050236

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Preparation and Photocatalytic Performance of B,N-SnO₂/TiO₂ Photocatalyst

Zhiye Ma, Li Ye, Yuhuan Wu, Tong Zhao

Acta Chimica Sinica 2021, 79 (9), pp 1173-1179 DOI: 10.6023/A21050242

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