Investigating the effect of acene-fusion and trifluoroacetyl substitution on the electronic and charge transport properties by density functional theory
We designed novel derivatives of 4,6-di(thiophen-2-yl)pyrimidine (DTP). Two benchmark strategies including mesomerically deactivating group, as well as the extension of π-conjugation bridge (acene-fusion) have been employed to enhance the electrical and charge transport properties. The density funct...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2016-05-01
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| Series: | Journal of Saudi Chemical Society |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1319610314001379 |