Contour plots of the frontier orbitals of complexes

August 16, 2024

• Title:       

  Contour plots of the frontier orbitals of complexes

• Image Source:

  Ruthenium complexes with vinyl, styryl, and vinylpyrenyl ligands: A case of non-innocence in organometallic chemistry

• Mark:

  Figure 11, Table 5

• Associated context:

  Contour plots of crucial fmos of the complexes 1cMe, 2cMe, and 3cMe are provided in Figure 11, while Table 5 lists their compositions as obtained by Mulliken analysis. These data fully conform to our experimental observation that metal contribution to the occupied frontier levels decreases as the π-conjugation of the vinyl ligand increases.