[2P01-53] Poster Presentation

[2P05] Potential of charge transfer at the hydrogen radical addition to functional molecular films

*Mizuho Muroyama¹, Seiya Watanabe¹, Yusuke Kanematsu², Masanori Tachikawa³, Megumi Kasaya Akai¹, Kato S Hiroyuki¹ (1. Department of Chemistry Graduate School of Science, Osaka University, 2. Graduate School of Advanced Science and Engineering, Hiroshima University, 3. Department of Science Graduate School of Nanobioscience Department of Materials System Science, Yokohama City University)

Investigating the transfer of charges between a substrate and functional groups within molecular films holds significant importance. The purpose of our study is to clarify the ability of electron transfer at the irradiation of hydrogen (H) atoms with the imidazole-terminated self-assembled monolayer on gold substrates. In highly acidic solutions, imidazole molecules are recognized to transform into imidazolium cations. A previous study utilizing X-ray absorption fine structure experiments disclosed the advancement of H-addition reactions of imidazole groups at the atomic H irradiation under vacuum conditions. We have examined four potential outcomes of the H-addition reaction. To achieve this, we performed molecular orbital calculations on the products ensuing from H addition. Our findings will facilitate a discussion concerning the ability of the H-addition reaction and the associated charge transfer.