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Machine Learning-Inspired Molecular Design, Divergent Syntheses, and X-ray Analyses of Dithienobenzothiazole-Based Semiconductors Controlled by S•••N and S•••S Interactions.
Ogaki, Takuya; Matsui, Yasunori; Okamoto, Haruki; Nishida, Naoyuki; Sato, Hiroyasu; Asada, Toshio; Naito, Hiroyoshi; Ikeda, Hiroshi.
Afiliación
  • Ogaki T; Osaka Metropolitan University, Department of Applied Chemistry, JAPAN.
  • Matsui Y; Osaka Metropolitan University: Osaka Koritsu Daigaku, Graduate School of Engineering, 1-1 Gakuen-cho, 599-8531, Sakai, JAPAN.
  • Okamoto H; Osaka Metropolitan University, Department of Applied Chemistry, JAPAN.
  • Nishida N; Osaka Metropolitan University, Department of Physics and Electronics, JAPAN.
  • Sato H; Rigaku Corporation, Department of X-ray Application, JAPAN.
  • Asada T; Osaka Metropolitan University, Department of Chemistry, JAPAN.
  • Naito H; Osaka Metropolitan University, Department of Physics and Electronics, JAPAN.
  • Ikeda H; Osaka Metropolitan University: Osaka Koritsu Daigaku, Graduate School of Engineering, 1-1 gakuen-cho, Sakai, 599-8531, JAPAN.
Chemistry ; : e202401080, 2024 Jul 22.
Article en En | MEDLINE | ID: mdl-39039606
ABSTRACT
Inspired by the previous machine-learning study that the number of hydrogen-bonding acceptor (NHBA) is important index for the hole mobility of organic semiconductors, seven dithienobenzothiazole (DBT) derivatives 1a-g (NHBA = 5) were designed and synthesized by one-step functionalization from a common precursor. X-ray single-crystal structural analyses confirmed that the molecular arrangements of 1b (the diethyl and ethylthienyl derivative) and 1c (the di(n-propyl) and n-propylthienyl derivative) in the crystal are classified into brickwork structures with multidirectional intermolecular charge-transfer integrals, as a result of incorporation of multiple hydrogen-bond acceptors. The solution-processed top-gate bottom-contact devices of 1b and 1c had hole mobilities of 0.16 and 0.029 cm2 V-1s-1, respectively.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chemistry Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Alemania
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Chemistry Asunto de la revista: QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Japón Pais de publicación: Alemania