Electron Transfer Capability in Atomic Hydrogen Reactions for Imidazole Groups Bound to the Insulating Alkanethiolate Layer on Au(111).

Autor:	Kato HS; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan., Muroyama M; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan., Kobayakawa N; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan., Muneyasu R; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan., Tsuda Y; Materials Sciences Research Center, Japan Atomic Energy Agency (JAEA), Sayo-cho, Sayo-gun, Hyogo 679-5148, Japan., Murase N; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan., Watanabe S; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan., Yamada T; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan., Kanematsu Y; Smart Innovation Program, Graduate School of Advanced Science and Engineering, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8527, Japan., Tachikawa M; Department of Materials System Science, Graduate School of Nanobioscience, Yokohama City University, Yokohama, Kanagawa 236-0027, Japan., Akai-Kasaya M; Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan., Okada M; Institute for Radiation Sciences, Osaka University, Toyonaka, Osaka, 560-0043, Japan., Yoshigoe A; Materials Sciences Research Center, Japan Atomic Energy Agency (JAEA), Sayo-cho, Sayo-gun, Hyogo 679-5148, Japan.
Jazyk:	angličtina
Zdroj:	The journal of physical chemistry letters [J Phys Chem Lett] 2024 Oct 31; Vol. 15 (43), pp. 10769-10776. Date of Electronic Publication: 2024 Oct 18.
DOI:	10.1021/acs.jpclett.4c02306
Abstrakt:	The charge transfer capability associated with chemical reactions at metal-organic interfaces was studied via the atomic H addition reaction for an imidazole-terminated alkanethiolate self-assembled monolayer (Im-SAM) film on Au(111) at room temperature, using near-edge X-ray absorption fine structure spectroscopy, infrared reflection absorption spectroscopy, work function measurements, and density functional theory calculations. The imidazolium cation is a stable species in liquids; therefore, it is pertinent to determine whether the hydrogenation reactions of the imidazole groups produce imidazolium cations accompanied by electron transfer to the Au substrate, even in the absence of solvate and/or counterions on the insulating alkanethiolate layer. The experiments made it clear that the imidazolium moieties were formed during the irradiation of Im-SAM with atomic H. Theoretical model calculations also revealed that the total energies and molecular orbital levels satisfied the imidazolium cation formation associated with electron transfer. In a detailed analysis of the work function change depending on H irradiation, we confirmed that some of the imidazolium radicals became cations in Im-SAM.
Databáze:	MEDLINE
Externí odkaz:	Zobrazit plný text záznamu