Relationship Between Molecular Structure,Single crystal Packing and Self-Assembly Behavior: A Case Based on Pyrene Imide Derivatives |
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Authors: | Xiaojun Li Shilong Zhang Prof Wangqiao Chen Hongjing Han Meizhen Qiu Prof Jiawen Chen Prof Qichun Zhang |
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Institution: | 1. School of South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, 510006 P. R. China;2. Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong, 999077 P. R. China |
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Abstract: | Development of new n-type one-dimensional (1D) self-assembly nanostructure and a clear understanding of the relationship between molecular structure and self-assembly behavior are important prerequisites for further designing and optimizing organic optoelectronic nanodevice. In this article, a series of n-type organic semiconductor materials based on pyrene imide were successfully synthesized through 4+2] cycloaddition reactions and their preliminary optical and electrochemical properties were studied. The simulated HOMO-LUMO bandgaps via DFT tallied with the experimental data well. The self-assembly of these materials showed needle or fiber-like morphologies, indicating that different conjugation degree or alkyl group had significant influence on their self-assembly behaviors. Furthermore, the single-crystal packing for these molecules were analyzed and it was found out that the changes of conjugated backbone and functional group would affect certain crystal lattice parameter significantly, such as the intermolecular packing distance and crystal size etc, which would further result in different self-assembly morphology. |
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Keywords: | n-type organic semiconductor pyrene imide self-assembly behavior single crystal |
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