Theoretical study on the charge transport properties of triphenylene discogens with a phenylpropionyloxy or 3-phenylpropenoyloxy side chain |
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Authors: | JunRong Chen ChuRui Huang BuYi Xu Quan Li KeQing Zhao |
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Institution: | (1) College of Chemistry and Material Science, Sichuan Normal University, Chengdu, 610066, China |
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Abstract: | Charge transport is one of the most important properties in organic materials. Charge transport properties of triphenylene
discogens with a phenylpropionyloxy or 3-phenylpropenoyloxy side chain have been investigated computationally on the basis
of semi-classical Marcus theory. The results show that three triphenylene derivatives have high charge mobility. Title compounds
have much better electronic mobility than the triphenylene. The triphenylenes containing 3-phenylpropenoyloxy have better
hole mobility, but smaller electronic mobility than the triphenylenes with phenylpropionyloxy. For the triphenylene discogens
with a phenylpropionyloxy, the longer the alkloxy chains, the better the positive charge transfer rate, but the smaller the
negative charge transfer rate.
Supported by the National Natural Science Foundation of China (Grant No. 50673069), the Research Foundation of Education Bureau
of Sichuan Province, China (Grant No. 07ZA093), and Scientific Research Foundation of Sichuan Normal University for Innovation
Groups ( Grant No. 025156) |
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Keywords: | triphenylene charge transport discotic liquid crystals phenylpropilate phenylpropenoate |
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