title: Messenger-tagging electrosprayed ions: vibrational spectroscopy of suberate dianions.
abstract: The gas-phase vibrational spectroscopy of bare and monohydrated suberate dianions, (-)OOC-(CH(2))(6)-COO(-) and (-)OOC-(CH(2))(6)-COO(-).H(2)O, is studied by infrared photodissociation aided by electronic structure calculations. To this end, the corresponding ion-Kr atom complexes are formed in a cooled buffer-gas-filled ion trap, and their infrared vibrational predissociation spectra are measured in the range from 660 to 3600 cm(-1). The water molecule binds to one of the two carboxylate groups in a bidentate fashion, characterized by the splitting of the carboxylate stretching bands, a substantially blue-shifted water bending band, and the presence of anomalously broadened bands in the O-H stretching and H(2)O rocking region. The C-C backbone structure remains unperturbed by the addition of a water molecule or a Kr atom. At 63 K, the all-trans isomer is the most abundant species, but evidence for dynamically interconverting conformers is also present from contributions to the absorption cross section on the low-energy tail of the C-H stretching region.
authors.affiliation: Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.
authors.forename: Daniel J
authors.initials: DJ
authors.lastname: Goebbert
authors.forename: Torsten
authors.initials: T
authors.lastname: Wende
authors.forename: Risshu
authors.initials: R
authors.lastname: Bergmann
authors.forename: Gerard
authors.initials: G
authors.lastname: Meijer
authors.forename: Knut R
authors.initials: KR
authors.lastname: Asmis