Organic / Inorganic Seminar: Harnessing mass spectrometry for interrogating reactive intermediates

October 31th

Seminar Room & Zoom


Dr. Alexandra Tsybizova, Laboratory for Organic Chemistry, ETH Zurich

Harnessing mass spectrometry for interrogating reactive intermediates
Abstract: Electrospray ionization mass spectrometry (ESI-MS) is an important tool for mechanistic studies in organic and organometallic chemistry. It allows investigation of reaction mixtures including monitoring of reactants, products, and intermediates, studying properties of the intermediates and their reactivity. Studying the reactive species in the gas phase can be advantageously combined with theoretical calculations. My talk will give a general introduction into the ESI-MS and how it can be used for mechanistic studies, followed by recent investigations of aryl-corrins—a class of B12 derivatives that embodies “antivitamin” properties and represents a biologically important class of compounds. I will present experimental measurements of the bond strength in a series of aryl-corrins,1 as well as on the the structural properties of arylcobinamides. Quantum chemical calculations for the interpretation of experimental spectra as well as for the comparison with the bond strengths will also be discussed.
1 A. Tsybizova, C. Brenig, C. Kieninger, B. Kräutler, and P. Chen, Chemistry – A European Journal 27, 7252 (2021).

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