Pseudorotation in the D2O trimer.

S Suzuki; G A Blake

doi:10.1016/0009-2614(94)01056-0

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Pseudorotation in the D2O trimer.

S Suzuki·G A Blake

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Abstract

Far-infrared spectra of Ar/D2O supersonic expansions have been recorded between 39 and 44 cm-1, in which a c-type band centered at 41.1 cm-1 was observed. This new band, attributed to the cyclic water trimer, has the same ground state rotational constants as the (D20)3 98 cm-1 a-type band reported by Liu et al. [J. Am. Chem. Soc. 116 (1994) 3507]. Fits of the observed far-infrared band positions to an effective one-dimensional potential require a substantially larger pseudorotation barrier or effective moment of inertia than predicted theoretically. Estimated frequencies of unobserved transitions in the pseudorotation manifolds of (D2O)3 and (H20)3 are presented as a guide to future experimental searches.

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Chemistry, Physical Deuterium Oxide Models, Molecular Molecular Structure Physical Phenomena Physics Spectrophotometry, Infrared Water Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S.

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S Suzuki, G A Blake. 1994-11-04. Pseudorotation in the D2O trimer.. https://doi.org/10.1016/0009-2614(94)01056-0

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