dc.creator Perez, Cristobal en_US dc.creator Pate, Brooks H. en_US dc.creator Kisiel, Zbigniew en_US dc.creator Temelso, Berhane en_US dc.creator Shields, George C. en_US dc.date.accessioned 2013-07-16T21:40:46Z dc.date.available 2013-07-16T21:40:46Z dc.date.issued 2013 en_US dc.identifier 2013-TH-08 en_US dc.identifier.uri http://hdl.handle.net/1811/55401 dc.description Author 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 17837 en_US dc.description.abstract In 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.iso en en_US dc.publisher Ohio State University en_US dc.title STRUCTURES OF THE LOWEST ENERGY NONAMER AND DECAMER WATER CLUSTERS FROM CHIRPED-PULSE ROTATIONAL SPECTROSCOPY en_US dc.type Article en_US dc.type Image en_US dc.type Presentation en_US
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