[K504-1vn] 09. Coordination Chemistry, Organometallic Chemistry

[K504-1vn-01] Theoretical study on electronic states of dinuclear ruthenium complexes that involve pi-electron groups in bridging ligands: Discussion based on orbital symmetry and orbital energy of pi-electron groups

^○Keisuke Sasaki¹, Naoka Amamizu¹, Yusuke Kataoka², Hsiu-Hui Chen³, I-Jui Hsu³, Ryohei Kishi^1,4,5,6, Yasutaka Kitagawa^1,4,5,6,7 (1. Graduate School of Engineering Science, Osaka University, 2. Graduate School of Natural Science and Technology, Shimane University, 3. National Taipei University of Technology, 4. QIQB, Osaka Univ., 5. RCSEC, Osaka Univ., 6. ICS-OTRI, Osaka Univ., 7. SRN-OTRI, Osaka Univ.)

[Lang.] Japanese

Keywords: frontier orbital, paddle-wheel structure, DFT, pi-electron groups