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Experimental and theoretical investigations of the optoelectronic properties of a 1,2,5-oxadiazolo-fused phenanthroline

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Abstract

A new phenanthroline derivative, [1,2,5]oxadiazolo[3′,4′:5,6]pyrazino[2,3-f][1,10]phenanthroline was designed and synthesized. Its molecular structure was confirmed by single-crystal X-ray diffraction analysis. Its optoelectronic properties were systematically investigated by optical and electrochemical measurements. Thermogravimetric analysis revealed that the title compound is remarkably stable. Finally, DFT calculations further indicated that the phenanthroline derivative has potential applications in organic electronics.

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Acknowledgements

This work was supported by the Natural Science Foundation of Xinjiang Province (2016D01C009) and the College Students Innovation Project of Changji University. We would also like to thank the Shanghai Supercomputer Center for access to the high performance computing service and program support.

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Correspondence to Yongming Zeng.

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Wei, T., Zeng, Y., Hong, L. et al. Experimental and theoretical investigations of the optoelectronic properties of a 1,2,5-oxadiazolo-fused phenanthroline. Monatsh Chem 149, 1753–1758 (2018). https://doi.org/10.1007/s00706-018-2210-2

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  • DOI: https://doi.org/10.1007/s00706-018-2210-2

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