Combined experimental and theoretical study of deprotonated ferrocene: Anion photoelectron spectroscopy and density functional calculations

This report presents the anion photoelectron spectrum of the mass-selected, dehydrogenated ferrocene anion (deprotonated neutral ferrocene), (FC-H)(-) as well as density functional calculations relating to (FC-H)(-) and associated species. The measured vertical detachment energy (VDE) was found to be 1.79 eV, which compares very well with our calculated VDE value of 1.77 eV. (C) 2013 Elsevier B.V. All rights reserved.