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Issue 52, 2015
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The role of magnetic–electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes

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Abstract

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.

Graphical abstract: The role of magnetic–electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes

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Publication details

The article was received on 16 Apr 2015, accepted on 14 May 2015 and first published on 14 May 2015


Article type: Communication
DOI: 10.1039/C5CC03167B
Author version available: Download Author version (PDF)
Citation: Chem. Commun., 2015,51, 10498-10501
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    The role of magnetic–electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes

    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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