期刊
CHEMISTRYSELECT
卷 1, 期 12, 页码 3310-3315出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/slct.201600888
关键词
Charge transfer; Crystal engineering; Density functional calculations; Phosphorus heterocycles; Semiconductors
资金
- Ministry of Education, Culture, Sports, Science and Technology, Japan [JP23655173, JP25109518, JP25288033, JP15H00923]
- Collaborative Research Program of Institute for Chemical Research, Kyoto University [2014-09, 2015-23]
- Nissan Chemicals Co. Ltd
- n-ichi Nishida of University of Hyogo
- Grants-in-Aid for Scientific Research [15H00923] Funding Source: KAKEN
This paper describes the p type semiconductor characteristics of 1-arylmethyl-substituted air-tolerant 1,3-diphosphacyclobutane-2,4-diyls, focusing preliminarily on their hole transfer parameters deduced from their crystal and density functional theory (DFT) structures. 1-(2-Anthrylmethy)-3-t-butyl-2,4-bis (2,4,6-tri-t-butylphenyl)-1,3-diphosphacyclobutane-2,4-diyl functions as a p-type field-effect transistor (FET) with semiconductor parameters comparable to its benzyl-substituted derivative. Thienylmethyl groups induced the FET response, and thus we investigated the utility of the 2-thieno[3,2-b] thio-phenemethyl group. Critical parameters, including reorganization energies (lambda), hole couplings (V), and hole hopping rates (W) were estimated based on experimental and DFT data. The benzyl and 2-anthrylmethy groups constructed hole transfer pathways comparable to that of acenes, whereas the 2-thieno [3,2-b] thiophenemethyl substituent resulted in the assembly of a unique three-dimensional network. The findings described in this study may lead to the fabrication of superior FET devices based on the chemistry of 1,3-diphosphacyclobutane-2,4-diyl.
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