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题名: Determine the Role of Alkyl Chains and Hydrogen Bonds in the Assembling Process of Fused Thiophene Indacene Derivatives by Scanning Tunneling Microscopy and Theoretical Calculation
作者: Liu, Zhi-Fei; Xu, Huan; Duan, Rui-Hong; Yang, Zhi-Yong; Zhang, HL(张浩力); Yi, Yuan-Ping
收录类别: SCIE ; EI
出版日期: 2016-09-29
刊名: Journal of Physical Chemistry C
卷号: 120, 期号:38, 页码:21699-21703
出版者: AMER CHEMICAL SOC
出版地: WASHINGTON
英文摘要: The surface patterns of fused thiophene indacene (FTI) derivatives with different alkyl chains are investigated with scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The FTI with ethyl chains (FTI 2) arranges into linear and fishbone structures. Both of them are defective, and FTI 2 is easily disturbed during experiments. FTI 6, the molecule carrying hexyl chains, is fixed on the surface much better than FTI 2, and defects in its assembly are reduced greatly. However, the essential characteristics of FTI 6 assembly are similar to those of the FTI 2 linear one. For the compound with dodecyl chains, FTI 12 organizes into the lamellar structure showing critical alterations from that of FTI 6 or FTI 2. The DFT-optimized models disclose that hydrogen bonds exist in all the rows of three studied molecules although the stacking of the respective compound is different. STM and DFT results indicate that hydrogen borids are responsible for the formation of FTI 2 assembly; whereas the interactions related to alkyl chains lead to the formation of the lamellar structure of FTI 12. Thus, we, may estimate the balance point of hydrogen bonds and the interactions related to alkyl chains.
关键词: Hydrogen bonds ; Complexation ; Density functional theory ; Lamellar structures ; Molecules ; Scanning tunneling microscopy ; Surface defects ; Thiophene ; Alkyl chain ; Assembling process ; Balance point ; Essential characteristic ; Fused thiophene ; Optimized models ; Surface pattern ; Theoretical calculations
作者部门: (1) School of Chemistry and Chemical Engineering, University of Chinese Academy of Sciences, 19A Yuquanlu, Beijing ; 100049, China ; (2) State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou ; 730000, China ; (3) Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing ; 100090, China
通讯作者: Yang, ZY (reprint author), Univ Chinese Acad Sci, Sch Chem & Chem Engn, 19A Yuquanlu, Beijing 100049, Peoples R China. ; Zhang, HL (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, SKLAOC, Lanzhou 730000, Peoples R China. ; Yi, YP (reprint author), Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100090, Peoples R China.
学科分类: Chemistry; Science & Technology - Other Topics; Materials Science
文章类型: Article
所属项目编号: National Natural Science Foundation of China [21303200, 51525303, 21233001, 21190034] ; National Basic Research Program of China (973 Program) [2012CB933102] ; Strategic Priority Research Program of the Chinese Academy of Sciences [XDB12020200] ; Youth Innovation Promotion Association of Chinese Academy of Sciences [2015360] ; 111 Project
所属项目名称: 国家自然科学基金项目 ; 国家杰出青年科学基金项目 ; 国家重点基础研究发展计划以及国家重大科学研究计划(973计划) ; 高等学校学科创新引智计划(111计划)
项目资助者: NSFC ; MOST ; MOE ; SAFEA
语种: 英语
DOI: 10.1021/acs.jpcc.6b07857
ISSN号: 19327447
WOS记录号: WOS:000384626800060
EI记录号: 20164102885087
IR记录号: 20164102885087
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内容类型: 期刊论文
URI标识: http://ir.lzu.edu.cn/handle/262010/180585
Appears in Collections:化学化工学院_期刊论文

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Recommended Citation:
Liu, Zhi-Fei,Xu, Huan,Duan, Rui-Hong,et al. Determine the Role of Alkyl Chains and Hydrogen Bonds in the Assembling Process of Fused Thiophene Indacene Derivatives by Scanning Tunneling Microscopy and Theoretical Calculation[J]. Journal of Physical Chemistry C,2016,120(38):21699-21703.
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