Thiepin-Fused Heteroacenes: Simple Synthesis, Unusual Structure, and Semiconductors with Less Anisotropic Behavior
文献类型：期刊论文
| 作者 | Cai, Zhengxu; Zhang, Hantang; Geng, Hua; Liu, Zitong; Yang, Sifen; Luo, Hewei; Jiang, Lang; Peng, Qian; Zhang, Guanxin; Chen, Jianming |
| 刊名 | CHEMISTRY-A EUROPEAN JOURNAL
 |
| 出版日期 | 2013-10-18 |
| 卷号 | 19期号:43页码:14573-14580 |
| 关键词 | Density Functional Calculations Electronic Structure Fused Ring Systems Semiconductors Sulfur |
| ISSN号 | 0947-6539 |
| DOI | 10.1002/chem.201302114 |
| 英文摘要 | The simple one-pot syntheses of sulfur-rich thiepin-fused heteroacences with an alkylidene-fluorene framework, THA1 and THA6 (thiepin-fused heteroacene 1 or 6, in which the thiepin is conjugated at both ortho positions with S-CH3 or S-C6H13, respectively), is reported. Based on electrochemical studies and theoretical calculations, their LUMO energies are relatively low (-3.26 eV), and their HOMO and HOMO-1 orbitals are nearly degenerate. The thiepin ring contributes mainly to HOMO-1 and LUMO orbitals, however, HOMO orbitals dominantly reside on thienoacence rings. Within the crystal of THA1, the molecules adopt a herringbone arrangement and multiple intermolecular interactions lead to the formation of a 2D network. Interestingly, THA6 shows totally different intermolecular arrangements. Organic field-effect transistor (OFET) devices show both compounds exhibiting p-type semiconducting behavior. Thin films or microcrystals of THA1 possess relatively high hole mobility. Moreover, the mobilities of the microcrystal of THA1 along three directions are in the same order, thus the hole-carrier transporting within the hexagonal-plane of microcrystal of THA1 exhibits less anisotropic behavior. In comparison, both thin films and microrods of THA6 show low hole mobilities. This agrees well with the intermolecular arrangements and interactions within crystal of THA6. Further theoretical calculations reveal that significant intermolecular electronic coupling among HOMO-1 orbitals and sulfur atoms play an important role in intermolecular electronic coupling for THA1. |
| 语种 | 英语 |
| WOS记录号 | WOS:000330288400020 |
| 出版者 | WILEY-V C H VERLAG GMBH |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/54171]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Liu, Zitong |
| 作者单位 | Chinese Acad Sci, Inst Chem, Organ Solids Lab, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cai, Zhengxu,Zhang, Hantang,Geng, Hua,et al. Thiepin-Fused Heteroacenes: Simple Synthesis, Unusual Structure, and Semiconductors with Less Anisotropic Behavior[J]. CHEMISTRY-A EUROPEAN JOURNAL,2013,19(43):14573-14580. |
| APA | Cai, Zhengxu.,Zhang, Hantang.,Geng, Hua.,Liu, Zitong.,Yang, Sifen.,...&Zhang, Deqing.(2013).Thiepin-Fused Heteroacenes: Simple Synthesis, Unusual Structure, and Semiconductors with Less Anisotropic Behavior.CHEMISTRY-A EUROPEAN JOURNAL,19(43),14573-14580. |
| MLA | Cai, Zhengxu,et al."Thiepin-Fused Heteroacenes: Simple Synthesis, Unusual Structure, and Semiconductors with Less Anisotropic Behavior".CHEMISTRY-A EUROPEAN JOURNAL 19.43(2013):14573-14580. |
入库方式： OAI收割
来源：化学研究所
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