Radio frequency and microwave spectra for various isotopically substituted water dimers have been studied by molecular beam electric resonance spectroscopy. Resolved radio frequency hyperfine transitions have provided information about the tunneling–rotational levels of water dimer. The microwave spectra have been analyzed with a rigid rotor model to give the following structural information: Roo=2.976 Å (+0.000, −0.030 Å), ϑd=−51(10)°, ϑa=57(10)° and χa=6(20)°. The effects of large amplitude vibrational motion have been estimated and the equilibrium geometry should lie within the above limits. The experimental data is also consistent with χa and φd equal to zero for the equilibrium geometry. The water dimer structure, therefore, has a symmetry plane, a trans configuration, and a linear hydrogen bond within quoted error limits.
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1 May 1980
Research Article|
May 01 1980
Partially deuterated water dimers: Microwave spectra and structure
J. A. Odutola;
J. A. Odutola
Department of Chemistry, University of Oregon, Eugene, Oregon 97403
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T. R. Dyke
T. R. Dyke
Department of Chemistry, University of Oregon, Eugene, Oregon 97403
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J. Chem. Phys. 72, 5062–5070 (1980)
Citation
J. A. Odutola, T. R. Dyke; Partially deuterated water dimers: Microwave spectra and structure. J. Chem. Phys. 1 May 1980; 72 (9): 5062–5070. https://doi.org/10.1063/1.439795
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