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Contour plots of the electron density (e− Å−3) for the MOs containing significant Bi 6s2 contribution on the plane defined by the Bi3+ ion and the oxygen donor atoms of the pendent arms. (A) [Bi(macrophosphi)]+ HOMO, (B) [Bi(macrophospho)]+ HOMO, (C) [Bi(macropa)]+ HOMO, (D) [Bi(CHX-macropa)]+ HOMO, (E) [Bi(macropaquin)]+ HOMO–1, (F) [Bi(macroquin-SO3)]− HOMO–2. Values indicate maximum (blue) and minimum (red) electron density isovalues.
