[17a-M_123-1~12] 12.4 Organic light-emitting devices, organic transistors, and flexible devices

10:45 AM - 11:00 AM JST(1:45 AM - 2:00 AM UTC)

[17a-M_123-7] Quadrupole Interaction in Organic Semiconductors

〇Takehiko Mori^1,2, Hatsumi Mori³, Kazuo Takimiya^2,4 (1.Science Tokyo, 2.Riken, 3.ISSP, 4.Tohoku Univ.)

Keywords:

organic semiconductor,organic transistor,Quadrupole

In a similar manner to the intermolecular forces in organic semiconductors, the overlap of donor-acceptor stacks is investigated. An eclipsed arrangement is realized when the electrostatic attraction due to the quadrupole overcomes the Pauli repulsion. In most cases, the repulsion prevails and the staggered arrangement is stable, but the calculation shows that there are cases where the eclipsed arrangement becomes more stable. It becomes clear that in many cases the calculation correctly predicts the displacement observed in crystal structures.