Microhydrated cobalt-nitrate cations [Co(NO3)(H2O)(n)](+) (n=2, 3) studied by infrared spectroscopy in the gas phase

0379148 - ÚOCHB 2013 RIV NL eng J - Journal Article
Shaffer, Christopher - Schröder, Detlef
Microhydrated cobalt-nitrate cations [Co(NO3)(H2O)(n)](+) (n=2, 3) studied by infrared spectroscopy in the gas phase.
International Journal of Mass Spectrometry. Roč. 311, 1 Feb (2012), s. 17-23. ISSN 1387-3806. E-ISSN 1873-2798
Grant - others:European Research Council(XE) AdG HORIZOMS
Institutional research plan: CEZ:AV0Z40550506
Keywords : infrared spectroscopy * cobalt nitrate * density functional theory * electrospray ionization * kinetic modeling * microhydration
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.142, year: 2012

The microhydrated cations [Co(NO3)(H2O)(n)](+) (n = 2, 3) generated via electrospray ionization of aqueous cobalt(II) nitrate are studied by means of infrared-multiphoton dissociation (IRMPD) spectroscopy in an ion-trap mass spectrometer (IT-MS) at the free electron laser CLIO. While [Co(NO3)(H2O)(3)](+) shows a simple photo-induced fragmentation upon IRMPD, the situation is more complex for [Co(NO3)(H2O)(2)](+) because during storage in the IT-MS the ion associates with background water to afford [Co(NO3)(H2O)(3)](+). and both species adsorb IR photons in the same range. By means of kinetic modeling, it is demonstrated that also in such a more complicated situation useful insights can be achieved. For all [Co(NO3)(H2O)(n)](+) cations studied (n=0-3) in parallel theoretical studies, a bidentate coordination of the nitrato ligand is preferred, and this conclusion finds support by a comparison of the computed and experimental IR spectra. In addition, the binuclear cluster [Co-2(NO3)(3)(H2O)(3)](+) is probed by means of IRMPD.
Permanent Link: http://hdl.handle.net/11104/0210412