title: Vibrational spectroscopy of bisulfate/sulfuric acid/water clusters: structure, stability, and infrared multiple-photon dissociation intensities.
abstract: The structure and stability of mass-selected bisulfate, sulfuric acid, and water cluster anions, HSO4(-)(H2SO4)m(H2O)n, are studied by infrared photodissociation spectroscopy aided by electronic structure calculations. The triply hydrogen-bound HSO4(-)(H2SO4) configuration appears as a recurring motif in the bare clusters, while incorporation of water disrupts this stable motif for clusters with m > 1. Infrared-active vibrations predominantly involving distortions of the hydrogen-bound network are notably missing from the infrared multiple-photon dissociation (IRMPD) spectra of these ions but are fully recovered by messenger-tagging the clusters with H2. A simple model is used to explain the observed "IRMPD transparency".
authors.affiliation: Department of Chemistry, University of California, Berkeley, California 94720, USA.
authors.forename: Tara I
authors.initials: TI
authors.lastname: Yacovitch
authors.forename: Nadja
authors.initials: N
authors.lastname: Heine
authors.forename: Claudia
authors.initials: C
authors.lastname: Brieger
authors.forename: Torsten
authors.initials: T
authors.lastname: Wende
authors.forename: Christian
authors.initials: C
authors.lastname: Hock
authors.forename: Daniel M
authors.initials: DM
authors.lastname: Neumark
authors.forename: Knut R
authors.initials: KR
authors.lastname: Asmis