Apparent exceptions to the exciton chirality method may arise for chromophores undergoing transitions which are both electric- and magnetic-dipole allowed, for example bis-phenanthrenes. We present a computational approach to calculate exciton-coupled CD spectra based on a quantum-mechanical description of the excitonic parameters, which also includes the solvent effects.
S. Jurinovich, C. A. Guido, T. Bruhn, G. Pescitelli and B. Mennucci, Chem. Commun., 2015, 51, 10498 DOI: 10.1039/C5CC03167B
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