Coordination and Bond Activation in Complexes of Regioisomeric Phenylpyridines with the Nickel(II) Chloride Cation in the Gas Phase

0392352 - ÚOCHB 2014 RIV US eng J - Článek v odborném periodiku
Tsybizova, Alexandra - Rulíšek, Lubomír - Schröder, Detlef - Rokob, Tibor András
Coordination and Bond Activation in Complexes of Regioisomeric Phenylpyridines with the Nickel(II) Chloride Cation in the Gas Phase.
Journal of Physical Chemistry A. Roč. 117, č. 6 (2013), s. 1171-1180. ISSN 1089-5639. E-ISSN 1520-5215
Grant ostatní: European Research Council(XE) AdG HORIZOMS
Institucionální podpora: RVO:61388963
Klíčová slova: collision-induced dissociation * ionization mass-spectrometry * donor ligands pyridine * ion mobility measurements
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.775, rok: 2013

Electrospray ionization of dilute solutions of phenylpyridines (phpy) in the presence of nickel(II) chloride leads to gaseous ions of the type [Ni(phpy)(m)](2+) with m = 3-5 and [NiCl(phpy)(n)](+) with n = 1-3, which are characterized by various gas-phase experiments in combination with calculations using density functional theory. Of the regioisomeric phpy's, 2-phpy behaves drastically different compared to 3- and 4-phpy. Ion mobility mass spectrometry allows a differentiation of the gaseous ions and an elucidation of characteristic properties of the metal complexes. For 2-phpy, C-H bond activation in the [NiCl(phpy)(2)](+) complex is significant, whereas this route is almost suppressed for the corresponding complexes of 3- and 4-phpy and only occurs at elevated energies.
Trvalý link: http://hdl.handle.net/11104/0221240