Aggregation-induced emission can often be explained via the restriction of intramolecular rotation paradigm and/or excimer formation. The enhanced luminescence recently observed for aggregates of fluorenone derivatives are no exception. In this work, however, we use a recently developed excited-state electrostatic embedding technique to demonstrate that enhanced emission in diphenylfluorenone can be rationalized by considering a single-molecule process, in which the field induced by the crystalline environment at the excited state enhances the relative brightness of otherwise poorly emissive states, resulting in both enhanced fluorescence and a substantial bathochromic shift in comparison with emission in dilute solution.

Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory / Presti, Davide; Wilbraham, Liam; Targa, Cecilia; Labat, Frédéric; Pedone, Alfonso; Menziani, Maria Cristina; Ciofini, Ilaria; Adamo, Carlo. - In: JOURNAL OF PHYSICAL CHEMISTRY. C. - ISSN 1932-7447. - 121:10(2017), pp. 5747-5752. [10.1021/acs.jpcc.7b00488]

Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory

PRESTI, DAVIDE;TARGA, CECILIA;PEDONE, Alfonso;MENZIANI, Maria Cristina;
2017

Abstract

Aggregation-induced emission can often be explained via the restriction of intramolecular rotation paradigm and/or excimer formation. The enhanced luminescence recently observed for aggregates of fluorenone derivatives are no exception. In this work, however, we use a recently developed excited-state electrostatic embedding technique to demonstrate that enhanced emission in diphenylfluorenone can be rationalized by considering a single-molecule process, in which the field induced by the crystalline environment at the excited state enhances the relative brightness of otherwise poorly emissive states, resulting in both enhanced fluorescence and a substantial bathochromic shift in comparison with emission in dilute solution.
2017
121
10
5747
5752
Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory / Presti, Davide; Wilbraham, Liam; Targa, Cecilia; Labat, Frédéric; Pedone, Alfonso; Menziani, Maria Cristina; Ciofini, Ilaria; Adamo, Carlo. - In: JOURNAL OF PHYSICAL CHEMISTRY. C. - ISSN 1932-7447. - 121:10(2017), pp. 5747-5752. [10.1021/acs.jpcc.7b00488]
Presti, Davide; Wilbraham, Liam; Targa, Cecilia; Labat, Frédéric; Pedone, Alfonso; Menziani, Maria Cristina; Ciofini, Ilaria; Adamo, Carlo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1130837
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