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题名: Determine the Role of Alkyl Chains and Hydrogen Bonds in the Assembling Process of Fused Thiophene lndacene Derivatives by Scanning Tunneling Microscopy and Theoretical Calculation
作者: Liu, Zhi-Fei1; Xu, Huan2, 4; Duan, Rui-Hong3; Yang, Zhi-Yong1; Zhang, Hao-Li2; Yi, Yuan-Ping3
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
发表日期: 2016-09-29
卷: 120, 期:38, 页:21699-21703
收录类别: SCI
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.
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/35651
Appears in Collections:有机固体实验室_期刊论文

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作者单位: 1.Univ Chinese Acad Sci, Sch Chem & Chem Engn, 19A Yuquanlu, Beijing 100049, Peoples R China
2.Lanzhou Univ, Coll Chem & Chem Engn, SKLAOC, Lanzhou 730000, Peoples R China
3.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100090, Peoples R China
4.Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore, Singapore
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