Excited-state intramolecular proton transfer molecules bearing o-hydroxy analogues of green fluorescent protein chromophore

J Org Chem. 2011 Oct 21;76(20):8189-202. doi: 10.1021/jo2012384. Epub 2011 Sep 29.

Abstract

o-Hydroxy analogues, 1a-g, of the green fluorescent protein chromophore have been synthesized. Their structures and electronic properties were investigated by X-ray single-crystal analyses, electrochemistry, and luminescence properties. In solid and nonpolar solvents 1a-g exist mainly as Z conformers that possess a seven-membered-ring hydrogen bond and undergo excited-state intramolecular proton transfer (ESIPT) reactions, resulting in a proton-transfer tautomer emission. Fluorescence upconversion dynamics have revealed a coherent type of ESIPT, followed by a fast vibrational/solvent relaxation (<1 ps) to a twisted (regarding exo-C(5)-C(4)-C(3) bonds) conformation, from which a fast population decay of a few to several tens of picoseconds was resolved in cyclohexane. Accordingly, the proton-transfer tautomer emission intensity is moderate (0.08 in 1e) to weak (∼10(-4) in 1a) in cyclohexane. The stronger intramolecular hydrogen bonding in 1g suppresses the rotation of the aryl-alkene bond, resulting in a high yield of tautomer emission (Φ(f) ≈ 0.2). In the solid state, due to the inhibition of exo-C(5)-C(4)-C(3) rotation, intense tautomer emission with a quantum yield of 0.1-0.9 was obtained for 1a-g. Depending on the electronic donor or acceptor strength of the substituent in either the HOMO or LUMO site, a broad tuning range of the emission from 560 (1g) to 670 nm (1a) has been achieved.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Crystallography, X-Ray
  • Electrochemistry
  • Fluorescent Dyes / analysis
  • Fluorescent Dyes / chemical synthesis*
  • Green Fluorescent Proteins / analysis
  • Green Fluorescent Proteins / chemical synthesis*
  • Hydrogen Bonding
  • Hydroxylation
  • Ions
  • Luminescence
  • Models, Chemical
  • Molecular Conformation
  • Molecular Imaging / methods*
  • Protons
  • Solvents / chemistry
  • Spectrometry, Fluorescence

Substances

  • Fluorescent Dyes
  • Ions
  • Protons
  • Solvents
  • Green Fluorescent Proteins