Presentation Information

[[B]A503-1vn-02]Theoretical Study on Magnetic Properties of Lanthanide Complexes with Ligand containing Nitroxide Radical.

○Kaito Taka1, Ren Inoue1, Koki Masuda, Kohei Tada1, Ryohei Kishi1,2,3,4, Takayuki Ishida5, Yasutaka Kitagawa1,2,3,4,6 (1. Graduate School of Engineering Science, Osaka Univ., 2. QIQB, Osaka Univ., 3. RCSEC, Osaka Univ., 4. ICS-OTRI Osaka Univ., 5. Graduate School of Informatics and Engineering, The Univ. of Electro-Communication, 6. OTRI-Spin, Osaka Univ.)

Keywords:

Single-molecule magnets,Quantum chemical calculations,Lanthanide complexes,Radical Ligands,Orbital interactions