Journal
FARADAY DISCUSSIONS
Volume 184, Issue -, Pages 251-262Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5fd00065c
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Funding
- NanoNextNL [06D.12]
- FP7 project PAMS [610441]
- NWO Physical Sciences
- Netherlands Organization for Scientific Research (NWO)
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We propose using halogenated organic dyes as nanoprobes for electric fields and show their greatly enhanced Stark coefficients using density functional theory ( DFT) calculations. We analyse halogenated variants of three molecules that have been of interest for cryogenic single molecule spectroscopy: perylene, terrylene, and dibenzoterrylene, with the zero-phonon optical transitions at blue, red, and near-infrared. Out of all the combinations of halides and binding sites that are calculated, we have found that fluorination of the optimum binding site induces a dipole difference between the ground and excited states larger than 0.5 D for all three molecules with the highest value of 0.69 D for fluoroperylene. We also report on the synthesis of 3-fluoroterrylene and the bulk spectroscopy of this compound in liquid and solid organic environments.
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