4.4 Article

Refinements in the description of excited VRT states of the water dimer

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MOLECULAR PHYSICS
卷 105, 期 5-7, 页码 513-527

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TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970601153373

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Extensive new spectroscopic measurements are combined with a global analysis of the ground state data in order to re-examine and to refine the description of the excited vibration rotation tunneling (VRT) states of the water dimer. Notably, six new 'donor torsion' subbands are analytically identified, current vibrational assignments of the K-a =1 stacks are reassessed, the previously reported (H2O)(2) donor torsion overtone (DT)(2) and hydrogen bond stretch (S) data sets are augmented, and four new (S) subbands have been measured. Unusually large Coriolis effects are predicted, excited state E-2 <-> E-1 assignments are reinforced, and possibilities of experimentally determining ground state AS splitting in (H2O)(2) from excited state data are discussed.

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