Perfluorobenzocyclobutene Radical Anion: A Structurally Flexible Particle

Abstract

The method of time resolved magnetic field effects in the recombination fluorescence of spin-correlated radical ion pairs is used to detect for the first time the perfluorobenzocyclobutene radical anion. The quantum chemical analysis of the potential energy surface testifies that the particle is structurally flexible with respect to the pseudo-rotation coordinate. The calculated values of hyperfine interaction constants averaged over global minima are close to those estimated from the experimental data of time resolved magnetic field effects.