title: Bond dissociation energies and structures of CuNO(+) and Cu(NO)(2)(+).
abstract: The bond dissociation energies of CuNO(+), Cu(NO)(2)(+), and CuAr(+) are determined by means of guided ion beam mass spectrometry and quantum chemical calculations. From the experiment, the values D(0)(Cu(+)-NO) = 1.13 +/- 0.05, D(0)(ONCu(+)-NO) = 1.12 +/- 0.06, D(0)(Cu(+)-Ar) = 0.50 +/- 0.07, and D(0)(Cu(+)-Xe) = 1.02 +/- 0.06 eV are obtained. The computational approaches corroborate these results and provide additional structural data. The relative values of D(0)(Cu(+)-NO) and D(0)(Cu(+)-Xe) are consistent with the approximately thermoneutral formation of CuXe(+) upon interacting CuNO(+) with xenon. The sequential bond dissociation energies of Cu(NO)(2)(+) exhibit a trend similar to those of other Cu(I) complexes described in the literature. Although metathesis of nitric oxide to N(2) and O(2) is of considerable interest, no evidence for N-N- or O-O-bond formations in Cu(NO)(n)(+) ions (with n up to 3) is obtained within the energy range studied experimentally.
authors.affiliation: Institut für Chemie, Technische Universität Berlin, Strasse des 17. Juni 135, 10623 Berlin, Germany.
authors.forename: Konrad
authors.initials: K
authors.lastname: Koszinowski
authors.forename: Detlef
authors.initials: D
authors.lastname: Schröder
authors.forename: Helmut
authors.initials: H
authors.lastname: Schwarz
authors.forename: Max C
authors.initials: MC
authors.lastname: Holthausen
authors.forename: Joachim
authors.initials: J
authors.lastname: Sauer
authors.forename: Hideya
authors.initials: H
authors.lastname: Koizumi
authors.forename: P B
authors.initials: PB
authors.lastname: Armentrout