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Paper selected as a 2020 PCCP HOT Article

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A paper on tautomeric and conformational equilibria of the 2-hydroxypyridine/2-pyridone pair in the gas phase has been published in the Journal of Physical Chemistry Chemical Physics (PCCP). The paper titled "Chlorination and tautomerism: a computational and UPS/XPS study of 2-hydroxypyridine 2-pyridone equilibrium" articulates that disentangling complex photoelectronic spectral features through computational studies allows to achieve a precise description of the tautomeric equilibrium in the neutral and cationic states of parent, 3-Cl, 4-Cl, 5-Cl and 6-Cl 2-hydroxypyridine.

The experimental work led to this article was performed at the Gas Phase Photoemission Beamline at Elettra-Sinctrotrone Trieste, Italy, where Dr. Hanan Sa’adeh has been a research fellow (awarded by the ICTP) since 2015. This paper is the result of a long collaboration with the scientists of Elettra and University of Bologna in Italy.

Phys. Chem. Chem. Phys., 2020, 22, 13440-13455.

This article has been selected as a 2020 PCCP HOT Article and made free to access until the end of September 2020.​

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Created at 7/13/2020 11:40 PM by Hanan Sa'adeh
Last modified at 7/19/2020 3:58 PM by Hanan Sa'adeh