Theoretical study on control of frontier orbital energy of Ir-M (M = Mn, Fe, Co, Ni, Cu, Zn) hetero-binuclear complexes bridged by pyrazoles

Yuta Hayashi

Presentation information

Academic Program [Oral A]

09. Coordination Chemistry, Organometallic Chemistry » Oral A

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

Wed. Mar 22, 2023 4:10 PM - 6:50 PM K504 (K504, Lecture Hall Bldg. [5F])

Chair: Souichirou Kawamorita, Yuya Tanaka

4:40 PM - 4:50 PM

[K504-1vn-04] Theoretical study on control of frontier orbital energy of Ir-M (M = Mn, Fe, Co, Ni, Cu, Zn) hetero-binuclear complexes bridged by pyrazoles

^○Yuta Hayashi¹, Naoka Amamizu¹, Keisuke Sasaki¹, Masahiro Tsuda¹, Ryouhei Kishi^1,2,3,4, Yasutaka Kitagawa^1,2,3,4,5 (1. Graduate School of Engineering Science, Osaka Univ., 2. QIQB, Osaka Univ., 3. RCSEC, Osaka Univ., 4. ICS, Osaka Univ., 5. SRN, Osaka Univ.)

[Lang.] Japanese

Keywords:DFT, hetero-binuclear metal complexes, frontier orbital