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(a) Calculated (TDDFT) and experimental absorption spectrum of cis,trans,cis-[Pt(N3)2(OH)2(NH3)2] in H2O. The excited states are shown as vertical bars with heights equal to their extinction coefficients. Transitions S1–S4 have all dissociative character since they involve (b) the σ-antibonding orbitals LUMO and LUMO+1.
