New insight into the spectroscopy of the [RuF5NO]2- anion: infrared, Raman and UV-visible spectra supported by quantum chemical calculations

Abstract

Despite the [RuF5NO]2− ion is the simplest of all ruthenium nitrosyls, the information available in the literature is scarce. In this paper the infrared and Raman spectra of NaK[RuF5NO].H2O are reported as well as first time Raman spectrum of K2[RuF5NO].H2O. To improve the assignments of RuNO vibrational modes, samples were enriched with 15N. The electronic spectrum of the [RuF5NO]2− ion is also studied and the assignments for the vibrational and UV–vis bands were supported by DFT calculations. The thermal stability of K2[RuF5NO].H2O was studied by thermogravimetric (TG) and differential thermal analysis (DTA) of polycrystalline samples under nitrogen and oxygen atmospheres in a temperature range of 20−800 °C.