title: Micro-hydration of the MgNO3+ cation in the gas phase.
abstract: Coordination complexes of the magnesium nitrate cation with water [MgNO(3)(H(2)O)(n)](+) up to n=7 are investigated by experiment and theory. The fragmentation patterns of [MgNO(3)(H(2)O)(n)](+) clusters generated via electrospray ionization indicate a considerable change in stability between n=3 and 4. Further, ion-molecule reactions of mass-selected [MgNO(3)(H(2)O)(n)](+) cations with D(2)O reveal the occurrence of consecutive replacement of water ligands by heavy water, and in this respect the complexes with n=4 and 5 are somewhat more reactive than their smaller homologs with n=1-3 as well as the larger clusters with n=6 and 7. For the latter two ions, the theory suggests the existence of isomers, such as complexes with monodentate nitrato ligands as well as solvent-separated ion pairs with a common solvation shell. The reactions observed and the ion thermochemistry are discussed in the context of ab initio calculations, which also reveal the structures of the various hydrated cation complexes.
authors.affiliation: Institute of Organic Chemistry and Biochemistry, Center for Biomolecules and Complex Molecular Systems, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6, Czech Republic.
authors.forename: Barbara
authors.initials: B
authors.lastname: Jagoda-Cwiklik
authors.forename: Pavel
authors.initials: P
authors.lastname: Jungwirth
authors.forename: Lubomír
authors.initials: L
authors.lastname: Rulísek
authors.forename: Petr
authors.initials: P
authors.lastname: Milko
authors.forename: Jana
authors.initials: J
authors.lastname: Roithová
authors.forename: Joël
authors.initials: J
authors.lastname: Lemaire
authors.forename: Philippe
authors.initials: P
authors.lastname: Maitre
authors.forename: Jean Michel
authors.initials: JM
authors.lastname: Ortega
authors.forename: Detlef
authors.initials: D
authors.lastname: Schröder