MOLECULAR STRUCTURE OF HYDROGEN BONDED WATER DIMER

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1974

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Ohio State University

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As reported last year, molecular beam electric resonance spectroscopy has been used to observe radio frequency and microwave transitions in water dimer produced in supersonic nozzle beam sources. Both $(H_{2}O)_{2}$ and $(D_{2}O)_{2}$ have been studied. Sufficient data have been obtained to provide the following structural parameters: the oxygen-oxygen internuclear distance is 2.98 $\pm$ 0.04 {\AA}, the hydrogen bond is linear to within $10^{\circ}$, and the hydrogen accepting molecule is oriented $50^{\circ} \pm 10^{\circ}$ from the hydrogen bond axis. Very large amplitude vibrations are clearly evident, but all data is consistent with an equilibrium structure having a plane of symmetry.The A component of the electric dipole moment has been measured for two vibrational states in the J = 2, K = 2 and J – 3, K = 3 states yielding$u_{22} = 2,5896(7) D, u33 = 2.5658(11) D$ and $\mu_{22} = 2.6350(11)$ D, and $\mu_{33} = 2.6238(8)$ D.

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Author Institution: Department of Chemistry, University of Rochester

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