[19p-Z18-1~14] 12.4 Organic light-emitting devices and organic transistors

[19p-Z18-5] Intermolecular interactions in alternately stacked organic semiconductor crystals

〇Seiji Tsuzuki¹, Kanata Koyama^1,2, Yukihiro Shimoi¹, Junya Tsutsumi¹, Satoru Inoue², Satoshi Matsuoka², Shunto Arai², Tatsuo Hasegawa² (1.AIST, 2.Univ. Tokyo)

Keywords:organice semiconductor, Intermolecular interaction, crystal structure

Crystals consisting of diCn-BTBT and TCNQ are known to operate as n-type semiconductors. diCn-BTBT and TCNQ are alternately stacked in the crystals to form column structures. The arrangement of adjacent molecules in crystals that determines the electron transport of organic semiconductors is governed by intermolecular interactions, but the details of intermolecular interactions in the crystals have not been well elucidated. Therefore, we analyzed the intermolecular interactions in the crystals using the density functional theory calculations.