Figure 3.

Plots showing the results of TDDFT calculations at the LH20t/def2‐SVP//LH20t‐D3(BJ)/def2‐SVP, COSMO (CH₂Cl₂) level of theory from [5′–8′]⁺ as stick spectra, and as spectra broadened with Gaussian line shapes with linewidths of 1100 cm⁻¹ together with spectra of [5]⁺–[8]⁺ obtained by spectroelectrochemical methods.