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Structure-photoluminescence correlation for two crystalline polymorphs of a thiophene-phenylene co-oligomer with bulky terminal substituents (Articolo in rivista)

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Structure-photoluminescence correlation for two crystalline polymorphs of a thiophene-phenylene co-oligomer with bulky terminal substituents (Articolo in rivista) (literal)

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Nicolini T.; Famulari A.; Gatti T.; Marti-Rujas J.; Villafiorita-Monteleone F.; Canesi E.V.; Meinardi F.; Botta C.; Parisini E.; Meille S.V.; Bertarelli C. (2014)
Structure-photoluminescence correlation for two crystalline polymorphs of a thiophene-phenylene co-oligomer with bulky terminal substituents
in The journal of physical chemistry letters; ACS, American chemical society, Washington, DC (Stati Uniti d'America)
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Nicolini T.; Famulari A.; Gatti T.; Marti-Rujas J.; Villafiorita-Monteleone F.; Canesi E.V.; Meinardi F.; Botta C.; Parisini E.; Meille S.V.; Bertarelli C. (literal)

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Nicolini T.; Famulari A.; Gatti T.; Marti-Rujas J.; Parisini E.; Meille S.V.; Bertarelli C.- Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano; Canesi E.V.;- Center for Nano Science and Technology Polimi, IIT Milan, Italy; Villafiorita-Monteleone F.; Botta, C.- Istituto per Lo Studio Delle Macromolecole (ISMAC), CNR; Meinardi F.- Dipartimento Scienze Dei Materiali, Università Degli Studi di Milano Bicocca, (literal)

Titolo

Structure-photoluminescence correlation for two crystalline polymorphs of a thiophene-phenylene co-oligomer with bulky terminal substituents (literal)

Abstract

Two crystal polymorphs of a thiophene-phenylene hexamer with bulky terminal substituents are characterized by different molecular conformations and parallel versus herringbone packing. Irrespective of their similar emissive spectra and common H-aggregate features, evidenced by crystal structure analysis and confirmed by solid-phase and excited-state first-principles calculations, their luminescence is relatively high and, for one form, nearly double than that for the other. Interaromatic packing energy contributions are established by quantum chemical calculations and can be compared quantitatively as the same species in different crystal environments is examined. The different luminescence efficiency of the two phases highlights the crucial role of the interaromatic packing for the luminescence properties of polyaromatic oligomers. © 2014 American Chemical Society. (literal)

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