title: Cis- and trans-conformations for peroxynitrite anions.
abstract: The biochemically important anion, peroxynitrite, is commonly thought to have a cis-conformation which is stable. This is thought to have a cyclic structure, which blocks the formation of the trans-conformation. Furthermore, it is often suggested that the latter structure isomerises to the far more stable nitrate ion. Here I suggest that the cis-structure has comparable stability to the trans-structure, and they are in rapid equilibrium at room temperature. This is supported by the very large linewidths for certain vibrational bands at room temperature, which become narrow, well-separated bands at 4 K. Lifetimes are about 10(-12) s for each isomer.
authors.affiliation: Department of Chemistry, De Montfort University, The Gateway, Leicester, UK.
authors.forename: M C
authors.initials: MC
authors.lastname: Symons
mesh_terms: D000838:Anions; D008956:Models, Chemical; D009566:Nitrates / Q000737:chemistry*; D013059:Spectrum Analysis, Raman; D013237:Stereoisomerism; D013696:Temperature
chemical_list: D000838:Anions; D009566:Nitrates; C039642:peroxynitric acid