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Issue 13, 2018
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Real time evolution of unprotected protonated galactosamine probed by IRMPD spectroscopy

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Abstract

Conformational characterization of single α- and β-epimers of galactosamine in solution still remains an intriguing task because of their flexibility and ability to interconvert. This difficulty was circumvented by recording several “snapshots” of the epimerization process by means of fast ESI vaporization of a galactosamine·HCl sample solution at different times. Consequently, the so generated gaseous mixtures were spectroscopically investigated and the specific conformational features of both α- and β-epimers were assigned, despite the overlapping of several IR signals. Interestingly, from a comparison with time-resolved 1H-NMR data obtained for the same solutions, the catalyzing effect of the applied ESI technique in the anomerization process clearly emerges. Finally, the experimental data were supported using both the Density Functional Theory (DFT) and Block-Localized Wavefunction (BLW) approaches: the latter method was applied here for the first time for the investigation of charged species.

Graphical abstract: Real time evolution of unprotected protonated galactosamine probed by IRMPD spectroscopy

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Publication details

The article was received on 13 Nov 2017, accepted on 20 Feb 2018 and first published on 21 Feb 2018


Article type: Paper
DOI: 10.1039/C7CP07642H
Citation: Phys. Chem. Chem. Phys., 2018,20, 8737-8743
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    Real time evolution of unprotected protonated galactosamine probed by IRMPD spectroscopy

    C. Fraschetti, L. Guarcini, C. Zazza, L. Mannina, S. Circi, S. Piccirillo, B. Chiavarino and A. Filippi, Phys. Chem. Chem. Phys., 2018, 20, 8737
    DOI: 10.1039/C7CP07642H

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