| DOI | Resolve DOI: https://doi.org/10.1063/1.1751391 |
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| Author | Search for: Roscioli, Joseph; Search for: Pratt, David; Search for: Smedarchina, Zorka1; Search for: Siebrand, Willem1; Search for: Fernandez-Ramos, Antonio |
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| Affiliation | - National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Subject | bond lengths; chemical exchanges; ground states; hydrogen bonds; isomerism; isotope effects; organic compounds |
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| Abstract | 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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| Publication date | 2004-06-22 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 12328687 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | cbffab30-4fcd-4773-aac1-efeacaab120c |
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| Record created | 2009-09-10 |
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| Record modified | 2020-04-17 |
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