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MICROWAVE SPECTRA AND STRUCTURES OF H$_2$S-CuCl AND H$_2$O-CuCl

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/46048

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Title: MICROWAVE SPECTRA AND STRUCTURES OF H$_2$S-CuCl AND H$_2$O-CuCl
Creators: Walker, N. R.; Wheatley, D. E.; Stephens, S. L.; Roberts, F. J.; Mikhailov, V. A.; Legon, A. C.
Issue Date: 2010
Abstract: A Balle-Flygare FT-MW spectrometer coupled to a laser ablation source has been used to measure the pure rotational spectra of H$_{2}$S-CuCl and H$_{2}$O-CuCl. Both molecules are generated via laser ablation (532 nm) of a metal rod in the presence of CCl$_{4}$, argon, a low partial pressure of H$_{2}$S or H$_{2}$O and are stabilized by supersonic expansion. Rotational constants and centrifugal distortion constants have been measured for eight isotopologues of H$_{2}$S-CuCl with substitutions available at the copper, chlorine and hydrogen atoms. Transitions in the spectra of nine isotopologues of H$_{2}$O-CuCl have been measured with isotopic substitutions achieved for every atom. The spectra of both H$_{2}$S-CuCl and H$_{2}$O-CuCl are consistent with a linear arrangement of sulphur or oxygen, metal and chlorine atoms. The structure of H$_{2}$S-CuCl is pyramidal with $\it{C}_{\rm{S}}$ symmetry. The structure of H$_{2}$O-CuCl is either $\it{C}_{\rm{2v}}$ planar at equilibrium or $\it{C}_{\rm{S}}$ pyramidal but with a low potential-energy barrier to planarity such that the v=0 and 1 states associated with the motion that inverts the configuration at the O atom are well separated. Nuclear quadrupole coupling constants have been measured for the chlorine and copper atoms in each molecule. Nuclear spin-rotation constants have been determined for the copper atom.
URI: http://hdl.handle.net/1811/46048
Other Identifiers: 2010-MH-03
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