Zundel-Type H-Bonding in Biomolecular ions

Hernandez, O. and Pulay, P. and Maitre, P. and Paizs, B. (2014) Zundel-Type H-Bonding in Biomolecular ions. Journal of The American Society for Mass Spectrometry, 25 (9). pp. 1511-1514. DOI: 10.1007/s13361-014-0950-8

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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.

Item Type: Article
Subjects: Research Publications
Departments: College of Physical and Applied Sciences > School of Chemistry
Date Deposited: 31 Mar 2016 02:34
Last Modified: 31 Mar 2016 02:34
ISSN: 1044-0305
URI: http://e.bangor.ac.uk/id/eprint/6408
Identification Number: DOI: 10.1007/s13361-014-0950-8
Publisher: Springer
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