Zundel-Type H-Bonding in Biomolecular ions
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Using quantum chemical calculations and infrared multiphoton dissociation (IRMPD) spectroscopy in the fingerprint and X-H stretching regions, we demonstrate here that the all-Ala b 6 fragment ion features a macrocyclic structure with C2 symmetry. For this structure, the ionizing proton is equally shared by the Ala(1) and Ala(4) amide oxygens in a Zundel-type symmetric (X…H+…X) H-bond.
| Original language | English |
|---|---|
| Pages (from-to) | 1511-1514 |
| Journal | Journal of The American Society for Mass Spectrometry |
| Volume | 25 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - 8 Jul 2014 |