The 101st CSJ Annual Meeting

Presentation information

Academic Program [Oral A]

11. Organic Chemistry -Structural Organic Chemistry- » Oral A

[A18-2pm] 11. Organic Chemistry -Structural Organic Chemistry-

Sat. Mar 20, 2021 1:00 PM - 3:40 PM Room 18 (Online Meeting)

Chair:Yoshihiro Miyake, Akihito Konishi

2:20 PM - 2:30 PM

[A18-2pm-09] Theoretical study on chain-length dependences of open-shell characters and aromaticites of two-electron redox states and boron-/nitrogen-substituted systems of dicyclopenta-fused acenes

Yosuke Shimizu1, Ryohei Kishi1,3, Wataru Yoshida1, Masato Ikeuchi1, Jinki Syouda1, Masayoshi Nakano1,2,3 (1. Graduate School of Engineering Science, Osaka University, 2. Center for Spintronics Research Network, Osaka University, 3. Center for Quantum Information and Quantum Biology, Osaka University)

[Lang.] Japanese

Keywords:Quantum chemical calculation, Open-shell characters, Aromaticities, Two-electron redox, Boron-/nitrogen-substitution