Simple and Accurate Computations of Solvatochromic Shifts in pi -> pi* Transitions of Aromatic Chromophors

Hendrik Heinz, Ulrich W. Suter, Epameinondas Leontidis

A new approach is introduced for calculating the spectral shifts of the most bathochromic pi -> pi* transition of an aromatic chromophore in apolar environments. As an example, per…