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PROTON TUNNELING IN BASE PAIR ANALOGS: UNDERSTANDING THE MECHANISMS BEHIND A DOUBLEPROTON TRANSFER$^{a}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/20988

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dc.creator Roscioli, Joseph R. en_US
dc.creator Pratt, D. W. en_US
dc.date.accessioned 2006-06-15T20:40:32Z
dc.date.available 2006-06-15T20:40:32Z
dc.date.issued 2003 en_US
dc.identifier 2003-TD-06 en_US
dc.identifier.uri http://hdl.handle.net/1811/20988
dc.description $^{a}$Work supported by NSF. en_US
dc.description Author Institution: Department of Chemistry, University of Pittsburgh en_US
dc.description.abstract The rotationally resolved electronic spectrum of a tautomeric base pair analog, the 2-hydroxypyridine/2-pyridone dimer in the gas phase has been obtained and interpreted. Using theoretical monomer structures, a doubly hydrogen bonded structure is proposed, in which the NH-N distance is similar to those found elsewhere, but the OH-O distance is considerably smaller. In addition, a tunneling splitting is observed corresponding to a double-proton transfer across these two hydrogen bonds. Analysis of the partially and doubly-deuterated dimer spectra reveals that the O-H and N-H stretches play different roles in the tunneling process. Possible theoretical interpretations are discussed. en_US
dc.format.extent 162194 bytes
dc.format.mimetype image/jpeg
dc.language.iso English en_US
dc.title PROTON TUNNELING IN BASE PAIR ANALOGS: UNDERSTANDING THE MECHANISMS BEHIND A DOUBLEPROTON TRANSFER$^{a}$ en_US
dc.type article en_US