[J202-4am] 09. Coordination Chemistry, Organometallic Chemistry

[J202-4am-06] Computational Design and Evaluation of Substituted PCP-Type Ligands for Mo-Catalyzed Nitrogen Fixation

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

[Lang.] Japanese

Keywords:Nitrogen fixation, Molybdenum complex, Density functional calculations , Substituent effect, Ammonia