Visualization of Molecular Orbital Electron Density (IMAGE)

Nagoya University

Visualization of Molecular Orbital Electron Density

Caption

Electron density distribution of the frontier orbital of a TMTTF molecule. Electrons of the constituent atoms of the molecule can be considered as either core electrons, which have no interactions with the surroundings, or electrons of frontier orbitals, which determine many physical properties of the molecule. We succeeded in visualizing the frontier molecular orbital distribution of a TMTTF by precise structural analysis using a core differential Fourier synthesis (CDFS) method.

Credit

Shunsuke Kitou

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