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dc.creatorEvangelisti, L.en_US
dc.creatorFeng, G.en_US
dc.creatorCaminati, W.en_US
dc.creatorEcija, P.en_US
dc.creatorCocinero, E. J.en_US
dc.creatorCastano, F.en_US
dc.date.accessioned2011-07-12T17:37:14Z
dc.date.available2011-07-12T17:37:14Z
dc.date.issued2011en_US
dc.identifier2011-WH-08en_US
dc.identifier.urihttp://hdl.handle.net/1811/49595
dc.descriptionAuthor Institution: Dipartimento di Chimica "G. Ciamician" dell'Universita, Via Selmi 2, I-40126 Bologna, Italy; Departamento de Quimica Fisica, Facultad de Ciencia y Tecnologia, Universidad del Pais Vasco (UPV-EHU), Apartado 644, E-48080 Bilbao, Spainen_US
dc.description.abstractThe pure rotational spectra of CF$_{3}$$^{35}$Cl-H$_{2}$O, CF$_{3}$$^{37}$Cl-H$_{2}$O, CF$_{3}$$^{35}$Cl-H$_{2}$$^{18}$O, CF$_{3}$$^{35}$Cl-OHD, CF$_{3}$$^{35}$Cl-D$_{2}$O isotopologues have been investigated by pulsed supersonic-jet FT-microwave spectroscopy. We assigned the \textit{m}~=~0 and \textit{m}~=~1 (for the first 2 isotopologues) states and the spectra, for all, are characteristic of a symmetric top of evenly spaced band. A substitution analysis was made for the \textit{m} = 0 state of the dimers with H$_{2}$$^{18}$O and D$_{2}$O. Ab initio calculation (MP2 level of electron correlation and 6-311++G** basis set) have been carried out in order to obtain information about the structure and relative stability. The interaction between the subunits occurs via C-Cl$\cdot \cdot \cdot$O(H$_{2}$O) halogen bond.en_US
dc.language.isoenen_US
dc.publisherOhio State Universityen_US
dc.titleHALOGEN BOND AND INTERNAL DYNAMICS IN CClF$_{3}$-H2Oen_US
dc.typeArticleen_US


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