Magnetic and Structural Characterization of Isolated Gaseous Ions by XMCD and IRMPD Spectroscopy

  • This thesis comprises four independent research studies on the magnetic and structural characterization of isolated ions in the gas phase. The electrospray ionization (ESI) technique is used for the transfer of (multi-)metallic complexes and organic molecules from solution into the gas phase. The subsequent storage of molecular ions in ion traps allows for a variety of spectroscopic methods in order to investigate the intrinsic properties of the isolated species void of solvent, crystal lattice, bulk or supporting surface effects. The magnetic properties of metal complexes are elucidated by gas phase X-ray magnetic circular dichroism (XMCD) spectroscopy. The element selective technique in combination with sum rule analysis allows for a separate determination of spin and orbital magnetic moments at different metal centers. Structural investigations on isolated molecular ions in terms of coordination sphere, binding motifs and hydrogen bonds are conducted using infrared multiple photon dissociation (IRMPD) spectroscopy. A resonant two color IRMPD technique serves to increase fragmentation yields, overcome dissociation bottlenecks and reveal otherwise dark bands. Comparison of experimental IRMPD spectra with calculated harmonic absorption spectra by density functional theory (DFT) provides structural assignments for a profound understanding of intra- and intermolecular interactions.

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Author:Joachim Hewer
Advisor:Gereon Niedner-Schatteburg
Document Type:Doctoral Thesis
Language of publication:English
Publication Date:2017/08/17
Year of Publication:2017
Publishing Institute:Technische Universität Kaiserslautern
Granting Institute:Technische Universität Kaiserslautern
Acceptance Date of the Thesis:2017/08/08
Date of the Publication (Server):2017/08/21
Number of page:III, 316
Faculties / Organisational entities:Kaiserslautern - Fachbereich Chemie
DDC-Cassification:5 Naturwissenschaften und Mathematik / 540 Chemie
PACS-Classification (physics):30.00.00 ATOMIC AND MOLECULAR PHYSICS / 33.00.00 Molecular properties and interactions with photons
Licence (German):Creative Commons 4.0 - Namensnennung, nicht kommerziell, keine Bearbeitung (CC BY-NC-ND 4.0)