DIPOLE MOMENTS OF THE OCS-NE, OCS-AR AND OCS-KR VAN DER WAALS COMPLEXES

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1991

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Ohio State University

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Values of the electric dipole moment for the van der Waals complexes of carbonyl sulfide with krypton, argon and ncon were determined from Stark-effect measurements in a cavity Fourier-transform microwave spectrometer. The dipole moment components are; NeOCS, |μa|=0.3294(11) D, |μb|=0.6224(35) D; Ar-OCS, |μa|=0.2094(10) D, |μb|=0.6573(23) D; Kr-OCS, |μa|=0.1719(18) D and |μb|=0.6746(10)D. The observed values were interpreted using ab initio theoretical calculations of the induced dipole moment of the rare gas component in the complex. In addition, some simple analytical models -- based on the expansion of the OCS multipole moments -- were also tested to rationalize the observed dipole moments. An attempt to assess the extent of zero- point vibrational effects in the harmonic oscillator limit will also be reported.

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Author Institution: Research Laboratory for Inorganic Chemistry, Hungarian Academy of Sciences; Department of Chemistry, University of Michigan

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