journal article·2024-06-18Open access

Observation of SOMO-HOMO Inversion in a Neutral Polycyclic Conjugated Hydrocarbon

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

ACS Nano· Volume 18· Issue 24

Abstract

We report the generation of a nonbenzenoid polycyclic conjugated hydrocarbon, which consists of a biphenyl moiety substituted by indenyl units at the 4,4' positions, on ultrathin 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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Research context

OpenAlex topics: NMR spectroscopy and applications · Advanced NMR Techniques and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

IBM Research Europe − Zurich, Rüschlikon 8803, Switzerland

Center for Research in Biological Chemistry and Molecular Materials (CiQUS) and Department of Organic Chemistry, University of Santiago de Compostela, Santiago de Compostela 15782, Spain

Applied Physics Program, Physical Science and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Kingdom of Saudi Arabia

Oportunius, Galician Innovation Agency (GAIN), Santiago de Compostela 15702, Spain

Funding

Agencia Estatal de Investigación · European Regional Development Fund · King Abdullah University of Science and Technology · H2020 Future and Emerging Technologies · Xunta de Galicia · H2020 European Research Council

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