[21a-PB1-1~86] 17 Nanocarbon Technology (Poster)

[21a-PB1-51] Reaction Mechanism of Nitrogen-Doped Graphene Derived from 5-membered Ring Molecule based on Stone-Wales Transformation

〇Yukihiro Muta¹, Nagahiro Saito^1,2,3,4 (1.Nagoya Univ., 2.Conjoint Research Lab. in Nagoya-Shinshu Univ., 3.JST-OPERA, 4.JST-SICORP)

Keywords:Nitrogen-doped graphene, Solution plasma

Imidazole was selected as the starting material for the five-membered ring molecule, and the reaction mechanism was elucidated by quantum theory calculation using the Gaussian 09 program. It suggested that the cationization of the nitrogen atom in five-membered ring would collapse the π-conjugated system and the reaction proceed.