Crystal Growth, HOMO-LUMO Engineering, and Charge Transfer Degree in Perylene-F(x)TCNQ (x=1, 2, 4) Organic Charge Transfer Binary Compounds

Hu Peng; Du Kezhao; Wei FengxiaJiang HuiKloc Christian

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Crystal Growth, HOMO-LUMO Engineering, and Charge Transfer Degree in Perylene-F(x)TCNQ (x=1, 2, 4) Organic Charge Transfer Binary Compounds

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The methodologies of searching for novel organic charge transfer binary compounds and large-size crystal growth, in the case that only the two starting organic substances are known but the phase diagram is not known, the thermodynamic data of the binary compound are not known, and even the existence of new binary compounds is not known, were studied. Centimeter-long crystals of novel perylene-F(1)TCNQ perylene-F(2)TCNQ, and perylene-F(4)TCNQ charge transfer binary compounds are obtained from the gas phase. Kinetically lowering the sublimation rate is the key factor for growing large-size charge transfer compound single crystals. Changing the number of fluorine atoms in F(x)TCNQ results in the variation of the electron affinity, which further changes the HOMO-LUMO of acceptor. Charge transfer degree is increased with increasing of fluorine atoms in the perylene-F(x)TCNQ system. Therefore, the structure, stoichiometry, and kind of donor and acceptor enable HOMO-LUMO engineering of the charge transfer compound and tune the physical properties.

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《Crystal growth & design》 |2016年第5期|3019-3027|共9页
作者
Hu Peng; Du Kezhao; Wei FengxiaJiang HuiKloc Christian;
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Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore;

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正文语种英语
中图分类晶体学;
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Crystal Growth, HOMO-LUMO Engineering, and Charge Transfer Degree in Perylene-F(x)TCNQ (x=1, 2, 4) Organic Charge Transfer Binary Compounds

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