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Molecular Structure and Dynamics

The Molecular Structure and Dynamics group combines and integrates mass spectrometry with IR spectroscopy, enabling them to obtain infrared spectral fingerprints for mass-selected ions inside the mass spectrometer. They apply infrared ion spectroscopy in various analytical challenges of identifying molecular structures of low-abundance compounds within complex mixtures, e.g. in biomarker discovery.

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Investigation of the Collision-Induced Dissociation Mechanism of Protonated N,N,N′,N′-Tetraoctyldiglycolamide With Infrared Ion Spectroscopy

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Infrared spectroscopy of isolated acetylacetone ion complexes with H+, Li+, and NH+4: A tale of two tautomers

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Multi-modal structure characterization of synthetic batch impurities with liquid chromatography coupled to infrared ion spectroscopy

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Gas-phase spectroscopy of H2O@C60+ and H2O@C60H+ in the mid-infrared: the challenges of searching for endohedral fullerenes in space

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Hydration of Phenylium: Oxonium or Carbenium Ion Formation?

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Zn(ii) complexation promotes isomerization and oxidative rearrangements of naringenin: evidence from IR ion spectroscopy and DFT calculations

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Infrared Ion Spectroscopy-Based Identification of a Trace Impurity in Organic Light-Emitting Diode Materials Without Fully Matched Reference Standards

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Influence of Methylating the Serine Side Chain on the Decomposition of Protonated Asparaginyl Serine: GIBMS, IRMPD, and Theoretical Modeling Studies

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Disrupting the Photochemical Landscape of a β-Diketone via Electrostatic Perturbation of Ground-State Tautomers

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Mid-infrared Spectroscopy of Protonated Benzonitrile, 2-Cyanonaphthalene, and 9-Cyanoanthracene for Astrochemical Consideration

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