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We propose using halogenated organic dyes as nanoprobes for electric fieldand show their greatly enhanced Stark coefficients using density functionaltheory (DFT) calculations. We analyse halogenated variants of three moleculesthat have been of interest for cryogenic single molecule spectroscopy,perylene, terrylene, and dibenzoterrylene, with the zero-phonon opticaltransitions at blue, red, and near infrared. Out of all the combinations ofhalides and binding sites that are calculated, we have found that fluorinationof the optimum binding site induces a dipole difference between ground andexcited states larger than 0.5 D for all three molecules with the highest valueof 0.69 D for fluoroperylene. We also report on synthesis of 3-fluoroterryleneand bulk spectroscopy of this compound in liquid and solid organicenvironments.

Design and synthesis of aromatic molecules for probing electric-fields at the nanoscale