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Anionic Ribose Related Species Explored Through PES Experiments, DFT Calculations, and Through Comparison with Anionic Fructose Species

Abstract

Ribose related species, (ribose-H)- and (ribose-H2O)-, are investigated through anionic photoelectron spectroscopy (PES) combined with density functional theory (DFT) calculations. Their vertical detachment energies (VDEs) are experimentally determined and their anionic structures with positional and conformational isomers are definitively assigned. Ribose- parent anion is not detected in the present experiments. (ribose-H)- and (ribose-H2O)- anions can be accessed as the characteristic fragmentation ions of the parent species. Generation of (ribose-H)- through the matrix assisted laser desorption ionization (MALDI) process is sample desorption substrate dependent, while generation of (ribose-H2O)- is independent of a wide range desorption substrates. Both conformational and positional isomers of (ribose-H)- are identified in the gas phase. Two types of positional isomers of (ribose-H2O)- (both from open chain structures) are assigned to contribute to two different components of the observed PES feature. The dehydration process can be thermodynamically accessed through both the parent anion and the neutral. A comparison between ribose and fructose PES and DFT results leads to the general conclusions: (1) ribose- open chain structures are more likely to lose hydrogen from C atoms than fructose- open chain structures, especially from (2)C and (4)C positions; (2) ribofuranose- has a relatively higher propensity for loss of H than does fructofuranose- in our MALDI/ablation process; and (3) ribofuranose- anion has lower decomposition probability through loss of water compared to fructofuranose- anion.

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Publication details

The article was received on 25 Aug 2017, accepted on 05 Oct 2017 and first published on 05 Oct 2017


Article type: Paper
DOI: 10.1039/C7CP05830F
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    Anionic Ribose Related Species Explored Through PES Experiments, DFT Calculations, and Through Comparison with Anionic Fructose Species

    Z. Zeng and E. R. Bernstein, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP05830F

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