| Autor: |
Geue N; Michael Barber Centre for Collaborative Mass Spectrometry, Manchester Institute of Biotechnology, Department of Chemistry, The University of Manchester, 131 Princess Street, Manchester M1 7DN, UK., Bennett TS; Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, UK., Ramakers LAI; Michael Barber Centre for Collaborative Mass Spectrometry, Manchester Institute of Biotechnology, Department of Chemistry, The University of Manchester, 131 Princess Street, Manchester M1 7DN, UK., Timco GA; Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, UK., McInnes EJL; Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, UK., Burton NA; Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, UK., Armentrout PB; Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, United States., Winpenny REP; Department of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, UK., Barran PE; Michael Barber Centre for Collaborative Mass Spectrometry, Manchester Institute of Biotechnology, Department of Chemistry, The University of Manchester, 131 Princess Street, Manchester M1 7DN, UK. |
| Abstrakt: |
Following electrospray ionization, it is common for analytes to enter the gas phase accompanied by a charge-carrying ion, and in most cases, this addition is required to enable detection in the mass spectrometer. These small charge carriers may not be influential in solution but can markedly tune the analyte properties in the gas phase. Therefore, measuring their relative influence on the target molecule can assist our understanding of the structure and stability of the analyte. As the formed adducts are usually distinguishable by their mass, differences in the behavior of the analyte resulting from these added species (e.g., structure, stability, and conformational dynamics) can be easily extracted. Here, we use ion mobility mass spectrometry, supported by density functional theory, to investigate how charge carriers (H + , Na + , K + , and Cs + ) as well as water influence the disassembly, stability, and conformational landscape of the homometallic ring [Cr 8 F 8 (O 2 C t Bu) 16 ] and the heterometallic rotaxanes [NH 2 RR'][Cr 7 MF 8 (O 2 C t Bu) 16 ], where M = Mn II , Fe II , Co II , Ni II , Cu II , Zn II , and Cd II . The results yield new insights on their disassembly mechanisms and support previously reported trends in cavity size and transition metal properties, demonstrating the potential of adduct ion studies for characterizing metallosupramolecular complexes in general. |
