Berlin 2005 – scientific programme

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MS: Massenspektrometrie

MS 1: Ionenfallen

MS 1.5: Talk

Friday, March 4, 2005, 11:30–11:45, HU 3088

Free Electron Laser IR Multiphoton Dissociation Spectroscopy Probing Covalent Rearrangements Within Transition Metal Coordination Compounds — •Gereon Niedner-Schatteburg¹, Anita Lagutschenkov¹, Björn Reinhard¹, Joël Lemaire², Philippe Maitre², Pierre Boissel², and Jean-Michel Ortega¹ — ¹Fachbereich Chemie, TU Kaiserslautern, 67661 Kaiserslautern, Germany — ²Laboratoire de Chimie Physique, CNRS-UMR-8000, Universite de Paris XI, Bâtiment 350, 91405 Orsay Cedex, France

The application of free electron laser generated tunable mid IR radiation to isolated ionic complexes within a compact FT-ICR ion trap allows for the recording of action spectra that are closely related to IR absoprtion spectra which in turn may be predicted by high level ab intio calculations. Through comparison a structural elucidation of such compounds becomes conclusive to an extend that allows to coin this technique as fingerprinting. Particular examples comprise complexes of multiple acetonitril ligands coordinated to either niobium cations [1] or to various vanadium oxides. It is found that reactive rearrangements within the complexes are gouverned by activation barriers that depend particularly on the total spin state of these complexes.

[1] B. M. Reinhard et al., J. Phys. Chem. A108, 3350 (2004)