The fluorescence intensity of molecular rotors containing the dicyanomethylenedihydrofuran (DCDHF) motif increases strongly with solvent viscosity. Single-bond and double-bond rotations have been proposed as pathways of nonradiative decay for this and related molecular rotors. We show here that both are involved in the case of DCDHF rotors: Fluorescence is quenched by rotation around the dicyanomethylene double bond in nonpolar solvents, but in a sufficiently polar environment rotation about a formally single bond leads to a dark internal charge-transfer state.

Excited-State Decay Pathways of Molecular Rotors: Twisted Intermediate or Conical Intersection?

MENNUCCI, BENEDETTA;
2016

Abstract

The fluorescence intensity of molecular rotors containing the dicyanomethylenedihydrofuran (DCDHF) motif increases strongly with solvent viscosity. Single-bond and double-bond rotations have been proposed as pathways of nonradiative decay for this and related molecular rotors. We show here that both are involved in the case of DCDHF rotors: Fluorescence is quenched by rotation around the dicyanomethylene double bond in nonpolar solvents, but in a sufficiently polar environment rotation about a formally single bond leads to a dark internal charge-transfer state.
Suhina, Tomislav; Amirjalayer, Saeed; Mennucci, Benedetta; Woutersen, Sander; Hilbers, Michiel; Bonn, Daniel; Brouwer, Albert M.
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11568/824117
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