Physicochemical properties of fluorescent probes: experimental and computational determination of the overlapping pKa values of carboxyfluorescein

Massimiliano Aschi; Angelo A D'Archivio; Antonella Fontana; Alessandra Formiglio

doi:10.1021/jo800036z

Physicochemical properties of fluorescent probes: experimental and computational determination of the overlapping pKa values of carboxyfluorescein

J Org Chem. 2008 May 2;73(9):3411-7. doi: 10.1021/jo800036z. Epub 2008 Mar 21.

Authors

Massimiliano Aschi¹, Angelo A D'Archivio, Antonella Fontana, Alessandra Formiglio

Affiliation

¹ Dipartimento di Chimica, Ingegneria Chimica e Materiali, Università degli Studi de L'Aquila, Via Vetoio (Coppito II), 67010 Coppito, L'Aquila, Italy.

PMID: 18355035
DOI: 10.1021/jo800036z

Abstract

The overlapping pKa values of carboxyfluorescein have been measured by applying a UV-vis spectroscopic method that uses absorbance diagrams and chemometric analysis. Quantum chemical calculations have also been performed in order to analyze the experimental data.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Chemical Phenomena
Chemistry, Physical
Computer Simulation
Fluoresceins / chemistry*
Fluorescent Dyes / chemistry*
Hydrogen-Ion Concentration
Ions / chemistry
Isomerism
Molecular Structure
Thermodynamics
Water / chemistry

Substances

Fluoresceins
Fluorescent Dyes
Ions
Water
6-carboxyfluorescein