Carlotto، نويسنده , , Silvia and Riccٍ، نويسنده , , Raffaele and Ferrante، نويسنده , , Camilla and Maggini، نويسنده , , Michele and Polimeno، نويسنده , , Antonino and Benzi، نويسنده , , Caterina and Barone، نويسنده , , Vincenzo، نويسنده ,
We analyze the behavior in several solvents of a perspective metal sensor, namely benzonitrile (DMABN-Crown5), a derivative of 4-(N,N-dimethylamino) benzonitrile (DMABN) that exhibits a dual fluorescence due to a twisted intra-molecular charge transfer process. To this end, we extend a stochastic modeling previously employed for DMABN, in which internal degrees of freedom are coupled with an effective solvent relaxation variable. Evaluation of potential energy surfaces using advanced QM approach and estimates of dissipative parameters based on hydrodynamic arguments are discussed. Emission fluorescence is calculated by solving a diffusion/sink/source equation for the stationary population of excited state, and compared to experimentally measured emission fluorescence of DMABN-Crown5.