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(a) The molecular structure with an atom numbering scheme of complex 2 (Symmetry code: (i) x, 0.5 − y, −0.5 + z) (Bi—orange, O—red, N—blue, Cl— green, C—black, H—white); (b) graphical representation of selected molecular orbital localized on Bi atom in complex 2 (DFT calculations).
