Journal
MOLECULAR PHYSICS
Volume 101, Issue 23-24, Pages 3477-3492Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970310001636486
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We report the observation of extensive a- and c-type rotation-tunnelling (RT) spectra of (H2O)(2) for K-a =0-3, and (D2O)(2) for K-a =0-4. These data allow a detailed characterization of the vibrational ground state to energies comparable to those of the low-lying (70-80 cm -1 ) intermolecular vibrations. We present a comparison of the experimentally determined molecular constants and tunnelling splittings with those calculated on the VRT(ASP-W)III, SAPT-5st, and VRT(MCY-5f) intermolecular potential energy surfaces. The SAPT-5st potential reproduces the vibrational ground state properties of the water dimer very well. The VRT(MCY-5f) and especially the VRT(ASP-W)III potentials show larger disagreements, in particular for the bifurcation tunnelling splitting.
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