title: Establishing the NO oxidation state in complexes [Cl(5)(NO)M](n-), M = Ru or Ir, through experiments and DFT calculations.
abstract: Predominantly NO-centered reduction was observed by EPR and IR spectroelectrochemistry to occur reversibly at low temperatures for [Cl(5)Ir(NO)](-). In contrast, the [Cl(5)Ru(NO)](2-) ion was found to undergo only irreversible reduction but reversible oxidation to a ruthenium(III) species at -40 degrees C. DFT calculations were used to establish the electronic structures and to rationalise the different stabilities. The calculations also reveal orientation-dependent energies and EPR properties between staggered and eclipsed conformations.
authors.affiliation: Institut fur Anorganische Chemie, Universitat Stuttgart, Pfaffenwaldring 55, D-70550 Stuttgart, Germany.
authors.forename: Monika
authors.initials: M
authors.lastname: Sieger
authors.forename: Biprajit
authors.initials: B
authors.lastname: Sarkar
authors.forename: Stanislav
authors.initials: S
authors.lastname: Zalis
authors.forename: Jan
authors.initials: J
authors.lastname: Fiedler
authors.forename: Natalia
authors.initials: N
authors.lastname: Escola
authors.forename: Fabio
authors.initials: F
authors.lastname: Doctorovich
authors.forename: Jose A
authors.initials: JA
authors.lastname: Olabe
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Kaim