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.
Data di pubblicazione: | 2017 |
Titolo: | Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory |
Autore/i: | Presti, Davide; Wilbraham, Liam; Targa, Cecilia; Labat, Frédéric; Pedone, Alfonso; Menziani, Maria Cristina; Ciofini, Ilaria; Adamo, Carlo |
Autore/i UNIMORE: | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1021/acs.jpcc.7b00488 |
Rivista: | |
Volume: | 121 |
Fascicolo: | 10 |
Pagina iniziale: | 5747 |
Pagina finale: | 5752 |
Codice identificativo ISI: | WOS:000396969900032 |
Codice identificativo Scopus: | 2-s2.0-85018477238 |
Citazione: | 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. |
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