Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties

doi:10.1039/c3tc31421a

CORC > 化学研究所 > 中国科学院化学研究所

	Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties
	Zhang, Weifeng 1; Zhang, Ji 1; Chen, Xiangyang 2; Mao, Zupan 1; Xie, Xiaodong 3; Wang, Liping 3; Liao, Yi 2; Yu, Gui 1; Liu, Yunqi 1; Zhu, Daoben 1
刊名	JOURNAL OF MATERIALS CHEMISTRY C
	2013
卷号	1 期号:39 页码:6403-6410
ISSN号	2050-7526
DOI	10.1039/c3tc31421a
英文摘要	In order to study the influence of molecular conformation on the packing mode of single crystals, four bitrialkylsilylethynyl thienoacenes, TIPS-ABT, TMS-ABT, TIPS-CABT and TMS-CABT, were synthesized and characterized. Since there are different conformations arising from the rotation of the isopropyl groups, two types of single crystals of the thienoacene TIPS-ABT were successfully grown, and the related quantum-chemical calculations predict that in theory they have significantly different hole mobilties (mu(h)). For example, the mu(h) of TIPS-ABT-1 is 1.74 cm(2) V-1 s(-1), a value nearly two hundred times larger than that of TIPS-ABT-2 (0.09 cm(2) V-1 s(-1)), when the reorganization energy is obtained at the B3LYP/6-31+G(d) level. The results demonstrate the important influence of molecular conformation on the mode of crystal packing, and theoretically show the importance of organic semiconductor conformational control on the charge mobility. The thin film FET devices based on the four thienoacenes were prepared via the vacuum-deposit method. The TIPS-CABT-based devices afford hole mobilities of up to 0.012 cm(2) V-1 s(-1) with a current on-off ratio of 10(6).
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000324757400028
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/46601]
专题	中国科学院化学研究所
通讯作者	Yu, Gui
作者单位	1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, Beijing 100190, Peoples R China 2.Captial Normal Univ, Beijing 100048, Peoples R China 3.Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Weifeng,Zhang, Ji,Chen, Xiangyang,et al. Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties[J]. JOURNAL OF MATERIALS CHEMISTRY C,2013,1(39):6403-6410.
APA	Zhang, Weifeng.,Zhang, Ji.,Chen, Xiangyang.,Mao, Zupan.,Xie, Xiaodong.,...&Zhu, Daoben.(2013).Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties.JOURNAL OF MATERIALS CHEMISTRY C,1(39),6403-6410.
MLA	Zhang, Weifeng,et al."Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties".JOURNAL OF MATERIALS CHEMISTRY C 1.39(2013):6403-6410.