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dc.creatorPerez, Cristobalen_US
dc.creatorPate, Brooks H.en_US
dc.creatorKisiel, Zbigniewen_US
dc.creatorTemelso, Berhaneen_US
dc.creatorShields, George C.en_US
dc.date.accessioned2013-07-16T21:40:46Z
dc.date.available2013-07-16T21:40:46Z
dc.date.issued2013en_US
dc.identifier2013-TH-08en_US
dc.identifier.urihttp://hdl.handle.net/1811/55401
dc.descriptionAuthor Institution: Department of Chemistry, University of Virginia, McCormick Rd.; Charlottesville, VA 22904-4319; Institute of Physics, Polish Academy of Sciences, Al. Lotnikow; 32/46, 02-668 Warszawa, Poland; Dean's Office, College of Arts and Sciences, and; Department of Chemistry, Bucknell University, Lewisburg, PA 17837en_US
dc.description.abstractIn the breakthrough paper reporting observation and analysis of pure rotational spectra of the hexamer, heptamer and nonamer water clusters only one nonamer species was identified. {\bf 336}, 897 (2012).} The advances in this experiment, as described in the previous talk, allowed identification, among others, of five different nonamer, (H$_2$O)$_9$, conformers and of four different decamer, (H$_2$O)$_{10}$, conformers. Analysis of $^{18}$O enriched spectra resulted in determination of oxygen framework geometries for three of the water nonamers and two of the water decamers. Determination of experimental geometries proved considerably more challenging than for the lighter clusters since isotopic changes to moments of inertia are proportionally smaller, and there are multiple instances of near-zero principal coordinates. There are also more indications of the effect of internal motions. These problems have been overcome by careful application of $r_s$ and least-squares $r_m$ techniques in concert with $ab~initio$ calculations so that it was possible to match the experimental and theoretical geometries unambiguously. The precise oxygen framework geometries obtained from chirped-pulse spectroscopy for water clusters ranging in size from the hexamer to the decamer allow, for the first time, to identify some common features of the underlying hydrogen bonding from direct experimental evidence.en_US
dc.language.isoenen_US
dc.publisherOhio State Universityen_US
dc.titleSTRUCTURES OF THE LOWEST ENERGY NONAMER AND DECAMER WATER CLUSTERS FROM CHIRPED-PULSE ROTATIONAL SPECTROSCOPYen_US
dc.typeArticleen_US
dc.typeImageen_US
dc.typePresentationen_US


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