Hydrogen motion in proton sponges

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dc.contributor.author Horbatenko, Yevhen
dc.date.issued 2010-07-06
dc.identifier.citation Horbatenko, Y. (2010). Hydrogen motion in proton sponges. A 'IX Girona Seminar'. Girona: Universitat. [Consulta 3 etembre 2010]. Disponible a: http://hdl.handle.net/10256.1/1687
dc.identifier.uri http://hdl.handle.net/10256.1/1687
dc.description.abstract Hydrogen bonds are an essential concept in chemistry and have been studied extensively by both theoretical and experimental methods. An interesting special case is short strong hydrogen bonds present in proton sponges. In principle, three cases are possible. The potential energy surface (PES) of the hydrogen motion indeed has only one symmetric minimum. Alternatively, there can be two minima separated by a small barrier, such that the proton still moves freely between them even at 0 K. Finally, if the barrier is slightly larger, the proton motion can be frozen at low temperature, but still occurs easily at higher temperature
dc.format.mimetype audio/mpeg
dc.format.mimetype video/H263
dc.language.iso eng
dc.publisher Universitat de Girona. Departament de Química
dc.publisher Universitat de Girona. Institut de Química Computacional
dc.relation.ispartofseries IX Girona Seminar
dc.rights Aquest document està subjecte a una llicència Creative Commons: Reconeixement - No comercial - Compartir igual (by-nc-sa)
dc.rights.uri http://creativecommons.org/licenses/by-nc-sa/3.0/es/deed.ca
dc.subject Química quàntica -- Congressos
dc.subject Quantum chemistry -- Congresses
dc.title Hydrogen motion in proton sponges
dc.type info:eu-repo/semantics/lecture

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