dc.creator Horvath, Samantha en_US dc.creator McCoy, Anne B. en_US dc.date.accessioned 2010-07-12T14:19:48Z dc.date.available 2010-07-12T14:19:48Z dc.date.issued 2010 en_US dc.identifier 2010-RB-03 en_US dc.identifier.uri http://hdl.handle.net/1811/46319 dc.description Author Institution: Department of Chemistry, The Ohio State University, Columbus, OH 43210 en_US dc.description.abstract As the infrared spectra of an increasing number of hydrogen bonded and ion/water complexes have been investigated experimentally, we find that they often contain bands with significant intensity that cannot be attributed to fundamental transitions. In this talk, we explore several sources of the intensity of these overtone and combination bands. A common source of intensity is mode-mode coupling, as is often seen between the proton transfer coordinate and the associated heavy atom vibration. A second important mechanism involves large changes in the dipole moment due the loss of a hydrogen bond. This results in intense overtone transitions involving non-totally symmetric vibrations as well as the introduction of intense combination bands involving intramolecular bending coupled to hindered rotations. These effects will be discussed in the context of several systems, including the spectra of complexes of argon atoms with ${\rm H}_3{\rm O}^+$, F$^-\cdot$H$_2$O,, {\bf 112}, 12337-44 (2008)} Cl$^-\cdot$H$_2$O,, {\bf 115}, 1556-68 (2010).} protonated water clusters,$^a$ and HOONO., {\bf 115}, 1324-33 (2010)} \vspace{3 mm} en_US dc.language.iso en en_US dc.publisher Ohio State University en_US dc.title ORIGINS OF IR INTENSITY IN OVERTONES AND COMBINATION BANDS IN HYDROGEN BONDED SYSTEMS en_US dc.type Article en_US
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