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- W3080632993 abstract "Electronic structures and direct observation of adlayers on Au(111) of triangular expanded hemiporphyrazines that can be classified into azaporphyrinoids and which can trap three transition metal ions are reported. The electronic structure was examined by electronic absorption and magnetic circular dichroism (MCD) spectroscopies and interpreted in conjunction with molecular orbital (MO) calculations. Both metal-free and metallated compounds were 30 π-electron systems with n = 7 in 4n + 2 aromaticity. In addition, calculations of the anisotropy of the induced current density (ACID) and nucleus-independent chemical shift (NICS) were performed. The inner core region of the metal-free compound was weakly anti-aromatic or nonaromatic, but after metal insertion, this region increased aromatic character. The direct observation of adlayers of one of their cobalt and nickel complexes on Au(111) by scanning tunneling microscopy (STM) revealed that these three ions are arranged specifically in the shape of a triangle. The electronic structures and nanoscale characterization of adlayers on Au(111) of triangular expanded hemiporphyrazines are reported in terms of electronic absorption, magnetic circular dichroism, molecular orbital calculations, the anisotropy of the induced current density, nucleus-independent chemical shift, and scanning tunneling microscopy (STM). The triangular shape of molecules and their encapsulation of three transition metals are confirmed by STM." @default.
- W3080632993 created "2020-09-01" @default.
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- W3080632993 date "2021-01-15" @default.
- W3080632993 modified "2023-10-10" @default.
- W3080632993 title "Triangular Expanded Hemiporphyrazines: Electronic Structures and Nanoscale Characterization of Their Adlayers on Au(111)" @default.
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- W3080632993 doi "https://doi.org/10.1246/bcsj.20200188" @default.
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