title: Integrated experimental and computational spectroscopy study on the protonation of the α-nitronyl nitroxide radical unit.
abstract: The stability of the α-nitronyl nitroxide radical unit under acidic conditions is investigated by an integrated experimental UV/Vis spectroscopy and TDDFT study. In the field of molecular magnetism, α-nitronyl nitroxide radicals are important as purely organic spin carriers due to their synthetic versatility. Here, the existence of an intermediate of the protonated α-nitronyl nitroxide radical unit is demonstrated for the first time and a proposed disproportionation reaction is confirmed.
authors.affiliation: Institut für Anorganische und Analytische Chemie, Johannes-Gutenberg-Universität Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany.
authors.forename: Anna-Maria
authors.initials: AM
authors.lastname: Pütz
authors.forename: Ulrich
authors.initials: U
authors.lastname: Schatzschneider
authors.forename: Eva
authors.initials: E
authors.lastname: Rentschler
mesh_terms: D003497:Cyclic N-Oxides / Q000737:chemistry*; D005609:Free Radicals / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D011522:Protons; D011789:Quantum Theory; D013057:Spectrum Analysis
chemical_list: D003497:Cyclic N-Oxides; D005609:Free Radicals; D011522:Protons