Author/Authors :
Andrea Quarti، نويسنده , , Claudio and Villafiorita-Monteoleone، نويسنده , , Francesca and Botta، نويسنده , , Chiara and Daita، نويسنده , , Valentina and Perdicchia، نويسنده , , Dario and Del Buttero، نويسنده , , Paola and Del Zoppo، نويسنده , , Mirella، نويسنده ,
Abstract :
The role of specific interactions on the optical properties of organic dyes is an important issue when designing optimized organic chromophores to be used in optoelectronic applications. The role of quantum chemical modeling of environmental effects can be of relevance in this respect but it is a very delicate issue to be tackled with different approaches. In this Letter we show that a simple dimer approach (one solvent + one solute molecule) is enough to reproduce the correct solvatochromic behavior of 4-hexylamino-7-nitro-2,1,3-benzoxadiazoles, which belongs to a class of molecules well known for their fluorogenic properties.
