EDITORIAL BOARD AND ADVISORY BOARD OF ACTA CHIMICA SINICA

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1 Vol. 75 No. 3

2 Editor-in-Chief ZHOU Qi-Lin( ) Nankai University Associate Editors EDITORIAL BOARD AND ADVISORY BOARD OF ACTA CHIMICA SINICA DING Kui-Ling( ) Shanghai Institute of Organic Chemisry, CAS HE Chuan( ) University of Chicago, USA LIU Zhong-Fan( ) Peking University ZHANG Xi( ) Tsinghua University WANG Li-Xiang( ) Changchun Institute of Applied Chemistry, CAS Editorial Board (Alphabetically arranged) GAO Song( ) Peking University JIANG Gui-Bin( ) Research Center for Eco-Environmental Sciences, CAS SUN Shi-Gang( ) Xiamen University SHUAI Zhi-Gang( ) Tsinghua University CHEN Chuan-Feng( ) CHEN Jun( ) CHEN Peng( ) CHEN Yong-Sheng( ) CUI Chun-Ming( ) DENG Zhao-Xiang( ) DING Kui-Ling( ) FAN Chun-Hai( ) FAN Qing-Hua( ) FENG Xiao-Ming( ) FU Yao( ) GAO Song( ) GONG Liu-Zhu( ) HE Chuan( ) HOU Yang-Long( ) HU Jin-Bo( ) HU Min( ) HU Wen-Hao( ) HU Zheng( ) HUANG Fei( ) HUANG Fei-He( ) HUANG Pei-Qiang( ) JIANG Gui-Bin( ) LI Zhan-Ting( ) LI Jing-Hong( ) LIU Dong-Sheng( ) LIU Guo-Sheng( ) LIU Hai-Chao( ) LIU Jing-Fu( ) LIU Lei( ) LIU Yu( ) LIU Zhong-Fan( ) LONG Yi-Tao( ) MA Jun-An( ) MENG Qing-Bo( ) PAN Yuan-Jiang( ) PENG Hui-Sheng( ) PENG Xiao-Jun( ) QU Liang-Ti( ) REN Bin( ) SHUAI Zhi-Gang( ) SONG Yan-Lin( ) SUN Shi-Gang( ) TONG Ming-Liang( ) WANG Guan-Wu( ) WANG Li-Xiang( ) WANG Peng( ) WANG Shu( ) WANG Wei( ) WANG Xun( ) XI Zhen-Feng( ) XIA Yong-Yao( ) XU Jing-Juan( ) YANG Huang-Hao( ) YOU Shu-Li( ) YU Gui( ) YU Jia-Guo( ) YU Zhi-Xiang( ) YU Biao( ) ZHANG Jin( ) ZHANG Li-Zhi( ) ZHANG Xi( ) ZHANG Ya-Wen( ) ZHENG Li-Min( ) ZHOU Jian( ) ZHOU Qi-Lin( ) ZHU Guang-Shan( ) ZHUANG Lin( ) Advisory Board AN Li-Jia( ) CHE Chi-Ming( ) CHEN Er-Qiang( ) CHEN Yi( ) CHENG Yi-Yu( ) DAI Li-Xin( ) FAN Kang-Nian( ) FENG Shou-Hua( ) GAO Zi( ) GUO Qing-Xiang( ) HAO Jing-Cheng( ) Henry N. C. WONG( ) HONG Mao-Chun( ) HOU Xue-Long( ) HU Ying( ) HU Yue-Fei( ) JI Guo-Zhen( ) LI Hao-Ran( ) LI Jun-Bai( ) LI Le-Min( ) LIAO Dai-Zheng( ) LIN Guo-Qiang( ) LÜ Long( ) LU Xi-Yan( ) MA Chun-An( ) MA Sheng-Ming( ) SHEN Yan-Chang( ) SONG Li-Cheng( ) SU Qiang( ) TIAN Wei-Sheng( ) WAN Hui-Lin( ) WANG De-Zheng( ) WANG Er-Kang( ) WANG Mei-Xiang( ) WU Yi-Kang( ) WU Yu-Lin( ) YANG Yu-Liang( ) YAO Jian-Nian( ) YE Jian-Nong( ) ZHAO Dong-Yuan( ) ZHAO Yu-Fen( ) ZHANG Yu-Kui( ) ZHENG Lan-Sun( ) ZHU Yong-Fa( ) ZOU Han-Fa( )

3 (Huaxue Xuebao) ,, *,,, 2017, 75(3), III......, *, *,, 2017, 75(3), , - Morita-Baylis-Hillman......, *,, 2017, 75(3), V 1 V 4 (5,5) [1 1] [2 1]......, *,,,,,, 2017, 75(3), ,,,, *,, 2017, 75(3), InPZnS/ZnS......,,, Peter Reiss, *,, 2017, 75(3), /0 NbMoS n (n 3 7) *,,,,,,, 2017, 75(3), Ru-Zn/ZrO ,,, *,, *,, 2017, 75(3), *. Acta Chim. Sinica 2017, 75, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences 251

4 ACTA CHIMICA SINICA Vol. 75, No. 3 March 15, 2017 Contents On the cover: Contrary to their bulk counterparts, two-dimensional materials, such as graphene, h-bn and TMDs, are weakly bonded between layers, which can be used in heteroepitaxy of III-Nitrides to reduce the stress caused by large lattice-mismatch. It can also help self-standing fabrication of III-nitrides devices such as InGaN-MQW LED and AlGaN HEMT. [Yang, Shaoyan et al. on page ] Review Research Progress of the Furan- Containing Fused Ring Conjugated Organic Molecules and Polymers Liu, Ye; Yuan, Jun; Zou, Yingping*; Li, Yongfang Acta Chim. Sinica 2017, 75(3), Furan and furan derivatives possess smaller aromaticity, higher carrier mobility, higher fluorescence quantum efficiency and better solubility. This paper reviewed the recent research progresses of the synthetic methods, properties and applications of the conjugated organic small molecules and polymers based on the furan-containing fused rings. Epitaxy of III-Nitrides Based on Two-Dimensional Materials Tan, Xiaoyu; Yang, Shaoyan*; Li, Huijie* Acta Chim. Sinica 2017, 75(3), The weak interaction between the 2D materials may facilitate the transfer of III-nitride epitaxial film from its substrate, thus reduces the costs of III-nitride application. Recent achievements on the 2D materials-based epitaxy of III-nitride are reviewed, together with the outlook of its further development. [The picture was reprinted by permission from Macmillan Publishers Ltd: [Nature Communications] (Ref. 37), copyright 2014] Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences Acta Chim. Sinica 2017, 75,

5 Content Communication Morita-Baylis Hillman Reaction of, -Unsaturated Ketones with Allylic Alcohols by the Combination of Transition-Metal Catalysis and Organomediation Li, Yaqiong; Huang, Zhizhen* Acta Chim. Sinica 2017, 75(3), Under the catalysis of Pd(PPh 3 ) 4 and the mediation of P(n-Bu) 3,, -unsaturated ketones 1 performs a MBH reaction smoothly with allylic alcohols 2 to give -allylated products 3 in satisfactory yields. Article [1 1] and [2 1] Additions on a (5,5) Single-Walled Carbon Nanotube with V 1 V 4 Vacancies Based on Defect Curvature: A First Principles Study E b /(kcal mol -1 ) V 1 V 2 V 3 V Li, Lei; Jia, Guixiao*; Wang, Xiaoxia; Wu, Tongwei; Song, Xiwen; An, Shengli Acta Chim. Sinica 2017, 75(3), K M-def /nm -1 For the atoms at the defect structure area, the binding energies of H atom on the (5,5) tube with V 1 V 4 vacancies monotonously increase with the increase of K M-def. Immobilization of Chloroperoxidase in Metal Organic Framework and Its Catalytic Performance Zhao, Ruinan; Hu, Mancheng; Li, Shuni; Zhai, Quanguo; Jiang, Yucheng* Acta Chim. Sinica 2017, 75(3), Chloroperoxidase (CPO) was embedded in zeolitic imidazolate frameworks (ZIFs) to prepare CPO@ZIF-8 micro reactor by one pot method at 30 in aqueous solution. The micro reactor displayed high catalytic efficiency to convert ABTS into ABTS. Synthesis of InPZnS/ZnS Quantum Dots by Continuous Injection of Phosphorus Precursor Huang, Lu; Li, Zhichun; Huang, Shouqiang; Peter Reiss; Li, Liang* Acta Chim. Sinica 2017, 75(3), The synthetic scheme for the preparation of InPZnS/ZnS QDs based on in situ generated gaseous PH 3 from Zn 3 P 2. Carried by a flow of Ar gas, PH 3 gas was continuously injected into the indium precursor, resulting in high quality InPZnS/ZnS QDs with emission region from 550 to 680 nm. Acta Chim. Sinica 2017, 75, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences 253

6 Content Theoretical Investigations on the Structures and the Chemical Bonding /0 of NbMoS (n 3 7) Clusters Wang, Bin*; Wang, Jianfu; Zhang, Xiaofei; Chen, Wenjie; Zhang, Yongfan; Huang, Xin Acta Chim. Sinica 2017, 75(3), In this work, DFT and CCSD(T) calculations were used to study the NbMoS n (n 3 7) clusters. NbMoS n (n 3 7) clusters can be viewed as linking different sulfur ligands to the NbMoS 2 four-membered rings. Diverse poly-sulfur ligands emerged in the sulfur-rich clusters. We predicted that doping niobium into the molybdenum sulfides may improve the emergence of S 2 group which may be helpful in producing the coordinatively unsaturated sites (CUS) under the H 2 /H 2 S atmosphere. Pore Size Effect of Ru-Zn/ZrO 2 Catalyst on Partial Hydrogenation of Benzene to Cyclohexene Zhou, Gongbing; Wang, Hao; Pei, Yan; Qiao, Minghua*; Sun, Bin; Zong, Baoning* Acta Chim. Sinica 2017, 75(3), The Ru-Zn/ZrO 2 catalysts had a pronounced pore size effect on the selectivity to cyclohexene in the partial hydrogenation of benzene. With the increase in the pore size, the selectivity to cyclohexene increased accordingly. The optimal Ru-Zn/ZrO 2 (11.7) catalyst exhibited the highest S 0 (88%) and yield (54%) of cyclohexene Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences Acta Chim. Sinica 2017, 75,

7

8 SCI ( ) Huaxue Xuebao ACTA CHIMICA SINICA (Monthly) 1933 (Founded in 1933) 75 3 Vol. 75 No March 15, 2017 Supervised by Chinese Academy of Sciences Sponsored by The Chinese Chemical Society and Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences Editor-in-Chief: ZHOU Qi-Lin ( 345, ) Edited and Published by Editorial Office of Acta Chimica Sinica (345 Lingling Lu, Shanghai , China) Printed by Shanghai Newcabo Business Printing Co., Ltd. Subscriptions Domestic: Local Post Offices ( 399 ) Foreign: China International Book Trading Corporation (P.O. Box 399, Beijing, China) hxxb@sioc.ac.cn ISSN CN /O M : Tel: ; slyou@sioc.ac.cn Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences Acta Chim. Sinica 2017, 75,

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