The 103rd CSJ Annual Meeting

Presentation information

Academic Program [Oral A]

09. Coordination Chemistry, Organometallic Chemistry » Oral A

[K506-1pm] 09. Coordination Chemistry, Organometallic Chemistry

Wed. Mar 22, 2023 1:00 PM - 3:40 PM K506 (K506, Lecture Hall Bldg. [5F])

Chair: Tomohiro Iwai, Yusuke Tamaki

3:20 PM - 3:30 PM

[K506-1pm-14] Theoretical study on proton-coupled electron transfer reaction using metallocene toward nitrogen fixation

Yusuke Tsuruta1, Akihito Egi1, Hiromasa Tanaka2, Yoshiaki Nishibayashi3, Kazunari Yoshizawa1 (1. Institute for Materials Chemistry and Engineering, Kyushu Univ., 2. School of Liberal Arts and Science, Daido Univ., 3. School of Engineering, The Univ. of Tokyo)

[Lang.] Japanese

Keywords:Nitrogen fixation, Metallocene, Density functional calculation, Proton-Coupled Electron Transfer reaction, Molybdenum complex