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

Overview

Journal ACS Nano

Publisher American Chemical Society

Specialty Biotechnology

Date 2024 Jun 4

PMID 38833667

Authors

Shantanu Mishra

Manuel Vilas-Varela

Shadi Fatayer

Florian Albrecht

Diego Pena

Leo Gross

Affiliations

Soon will be listed here.

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).

Citing Articles

Distance and Voltage Dependence of Orbital Density Imaging Using a CO-Functionalized Tip in Scanning Tunneling Microscopy.

Paschke F, Lieske L, Albrecht F, Chen C, Repp J, Gross L ACS Nano. 2025; 19(2):2641-2650.

PMID: 39772482 PMC: 11760183. DOI: 10.1021/acsnano.4c14476.

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