| DOI | Trouver le DOI : https://doi.org/10.1063/1.1751391 |
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| Auteur | Rechercher : Roscioli, Joseph; Rechercher : Pratt, David; Rechercher : Smedarchina, Zorka1; Rechercher : Siebrand, Willem1; Rechercher : Fernandez-Ramos, Antonio |
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| Affiliation | - Conseil national de recherches Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | bond lengths; chemical exchanges; ground states; hydrogen bonds; isomerism; isotope effects; organic compounds |
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| Résumé | Tunneling splittings have been observed in the eigenstate-resolved electronic spectrum of the 2-hydroxypyridine/2-pyridone dimer in the gas phase. Deuterium substitution experiments show that these splittings are caused by a concerted double proton transfer reaction along the O�H[centered ellipsis]O and N[centered ellipsis]H�N hydrogen bonds that hold the dimer together, substitution of the weaker and longer N[centered ellipsis]H�N bond having the larger effect. Tunneling splittings calculated by the instanton method for the zero-point level of the ground state are in good agreement with experiment for all observed isotopomers, showing that the dynamics occurs in this state, rather than in the electronically excited state. |
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| Date de publication | 2004-06-22 |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 12328687 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | cbffab30-4fcd-4773-aac1-efeacaab120c |
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| Enregistrement créé | 2009-09-10 |
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| Enregistrement modifié | 2020-04-17 |
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