Observation of SOMO-HOMO Inversion in a Neutral Polycyclic Conjugated Hydrocarbon.
Shantanu MishraManuel Vilas-VarelaShadi FatayerFlorian AlbrechtDiego PeñaLeo GrossPublished in: ACS nano (2024)
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).
Keyphrases
- single molecule
- atomic force microscopy
- living cells
- photodynamic therapy
- high speed
- high glucose
- diabetic rats
- high resolution
- drug induced
- density functional theory
- molecular docking
- oxidative stress
- magnetic resonance imaging
- room temperature
- computed tomography
- contrast enhanced
- mass spectrometry
- drug discovery
- high efficiency
- molecular dynamics
- fluorescent probe
- metal organic framework
- ionic liquid