| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394232 | Computational and Theoretical Chemistry | 2013 | 7 Pages |
Abstract
⺠Electron withdrawing substituents can stabilize the HOMO and LUMO levels of AcTH. ⺠Ethynylation and cyanation are efficient strategies to design materials with the low reorganization energy. ⺠DCCH-AcTH, DCN-AcTH, and AcTH are promising candidates for hole transport materials. ⺠Relationships between the electronic properties and Ïm constants are helpful to designing new molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Molecular design toward good hole transport materials based on anthra[2,3-c]thiophene: A theoretical investigation](/preview/png/5394232.png "First Page Preview: Molecular design toward good hole transport materials based on anthra[2,3-c]thiophene: A theoretical investigation")
Authors
Caibin Zhao, Wenliang Wang, Yan Ma,