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arXiv · 2403.01484

Observation of SOMO-HOMO inversion in a polycyclic conjugated hydrocarbon

Shantanu Mishra·Manuel Vilas-Varela·Shadi Fatayer·Florian Albrecht·Diego Peña·Leo Gross
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Abstract

We report the generation of a non-benzenoid polycyclic conjugated hydrocarbon, which consists of a biphenyl moiety substituted by indenyl units at the 4,4' positions, on ultra-thin sodium chloride films by tip-induced chemistry. Single-molecule characterization by scanning tunneling and atomic force microscopy reveals an open-shell biradical ground state, with a peculiar electronic configuration wherein the singly-occupied molecular orbitals (SOMOs) are lower in energy than the highest occupied molecular orbital (HOMO).

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Shantanu Mishra, Manuel Vilas-Varela, Shadi Fatayer, Florian Albrecht, Diego Peña, Leo Gross. 2024-03-03. Observation of SOMO-HOMO inversion in a polycyclic conjugated hydrocarbon. https://doi.org/10.1021/acsnano.4c03257

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