Reaction pathway and H/D kinetic isotope effects of the triple proton transfer in a 7‐hydroxyquinoline‐methanol complex in the ground state: A computational approach

Multiple proton transfer (PT) is an essential process in long‐range proton transport such as proton relay in enzymes. 7‐Hydroxyquinoline (7HQ) undergoes alcohol‐mediated PT in both the excited and ground states, and this system has been investigated as a biomimetic model. In the present study, the r...

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Veröffentlicht in:	Journal of physical organic chemistry 2018-01, Vol.31 (1), p.n/a
1. Verfasser:	Mori, Yukie
Format:	Artikel
Sprache:	eng
Schlagworte:	Biomimetics Chemical bonds Curvature Density functional theory Ground state Heptanes Hydrogen bonding Hydroxyquinoline Isotope effect Kinetics Mathematical analysis Methanol Protons Rate constants Reaction mechanisms Variations
Online-Zugang:	Volltext
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