[J402-4pm] 09. Coordination Chemistry, Organometallic Chemistry

[J402-4pm-13] Theoretical study on change in frontier orbitals by polycyclic aromatic hydrocarbons introduced to bridging ligands in dinuclear ruthenium complexes

^○Keisuke Sasaki¹, Naoka Amamizu², Yusuke Kataoka³, Hsiu-Hui Chen⁴, I-Jui Hsu⁴, Ryohei Kishi^2,5,6,7, Yasutaka Kitagawa^2,5,6,7, Masayoshi Nakano^2,5,6,7,8 (1. Faculty of Engineering Science, Osaka University, 2. Graduate School of Engineering Science, Osaka University, 3. Graduate School of Natural Science and Technology, Shimane University, 4. National Taipei University of Technology, 5. Center for Spintronics Research Network, Osaka University, 6. Center for Quantum Information and Quantum Biology, Osaka University, 7. Research Center for Solar Energy Chemistry (RCSEC), Graduate School of Engineering Science, Osaka University, 8. Innovative Catalysis Science Division (ICS), OTRI, Osaka University)

[Lang.] Japanese

Keywords:Ruthenium, paddle-wheel structure, polycyclic aromatic hydrocarbon, frontier orbital, DFT