Modern Electrospray Ionization Mass Spectrometry Techniques for the Characterization of Supramolecules and Coordination Compounds

Abstract

Mass spectrometry is routinely used for myriad applications in clinical, industrial, and research laboratories worldwide. Developments in the areas of ionization sources, high-resolution mass analyzers, tandem mass spectrometry, and ion mobility have significantly extended the repertoire of mass spectrometrists; however, for coordination compounds and supramolecules, mass spectrometry remains underexplored and arguably underappreciated. Here, the reader is guided through different tools of modern electrospray ionization mass spectrometry that are suitable for larger inorganic complexes. All steps, from sample preparation and technical details to data analysis and interpretation are discussed. The main target audience of this tutorial is synthetic chemists as well as technicians/mass spectrometrists with little experience in characterizing labile inorganic compounds.

Conformational Landscapes and Energetics of Carbon Nanohoops and their Ring-in-Ring Complexes

“…This time can be converted to rotationally averaged collision cross section values (CCS), which inform on size and topology and can be compared to literature values and to those predicted computationally from candidate geometries. The use of MS to investigate such noncovalent assemblies has been regularly reviewed; ,− however, in particular the simultaneous use of IM and MS 2 for supramolecules has so far been underexplored. ,− Such combined experiments, which are well-known for exploring the unfolding behavior of proteins similar to denaturation (“collisional unfolding”), can add structural information to our understanding of the disassembly process for dynamic supramolecules.…”