Author：Shuichi Suzuki
Affiliation： Graduate School of Engineering Science, The University of Osaka
Abstract：Gaussian16 を利用して、各種開殻π電子系分子とその集合体について、軌道計算、電荷分布、スピン密度分布、TD-DFT 等の計算を行い、実験結果を比較、補足した。

 

Publication related to this research
（Journal paper）

• Ritsuki Tanaka, Soichiro Kawamorita, Takeshi Naota, Daisuke Shiomi, Yui Tanaka, Kazunobu Sato, Nobuto Yoshinari, Shuichi Suzuki, "Synthesis and properties of dimethyldihydrophenazine radical cation with camphorsulfonate ion", Chemistry Letters, 54, 12, upaf210, Dec. 2025.
• Ruifeng Shu, Takeshi Naota, Masatoshi Kozaki, Daisuke Shiomi, Shuichi Suzuki, "Room-Temperature Paramagnetic-to-Diamagnetic Switching Behavior in an Open-Shell Ionic Liquid with a Tetracyanoquinodimethane Radical Anion Salt", Chemistry A European Journal, 31, 65, e01449, Nov. 2025.
• Ruifeng Shu, Takeshi Naota, Daisuke Shiomi, Shuichi Suzuki, "Multistage control of near-infrared and magnetic properties via π-dimer modulation in TCNQ radical anion salts", Chemical Communications, 61, 87, 17021, Sep. 2025.
• Shuichi Suzuki, Souta Uno, Tsuyoshi Murata, Yasushi Morita, Shin-ichiro Kato, Shun Dekura, Tomoyuki Akutagawa, Soichiro Kawamorita, Takeshi Naota, "Synthesis and Near-Infrared to Infrared Absorption Properties of a Hexabenzocoronene Radical Cation with a Double-Concave Structure", ChemistryEurope, 3, 6, e202500089, Nov. 2025.