London dispersion driven compaction of coordination cages in the gas-phase - a combined ion mobility and theoretical study.

ABSTRACT: Large self-assembled systems (such as metallosupramolecular rings and cages) can be difficult to structurally characterize, in particular when they show a highly dynamic behavior. In the gas-phase, Ion Mobility Spectrometry (IMS), in tandem with Electrospray Ionization Mass Spectrometry (ESI MS), can yield valuable insights into the size, shape and dynamics of such supramolecular assemblies. However, the detailed relationship between experimental IMS data and the actual gas-phase structure is still poorly understood for soft and flexible self-assemblies. In this study, we combine high resolution Trapped Ion Mobility Spectrometry (TIMS), yielding collisional cross section data (CCS), with computational modeling and theoretical CCS calculations to obtain and interpret gas-phase structural da

SUBMITTER: Drechsler C 

PROVIDER: S-EPMC11520353 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature