Journal of Physical Chemistry A, Vol.108, No.1, 121-126, 2004
Hydrogen delocalization in cyclic water clusters
An alternative model of the dynamics in the low energy states of the water trimer is presented. In this model the dynamically averaged pseudorotational levels reflect the D-3h molecular symmetry group. In contrast to the currently accepted C-3h model, in the present model transitions through much higher energy barriers, such as clockwise to counterclockwise rearrangements, are allowed. This leads to a significantly different picture of the trimer dynamics. This paper identifies a difference between the two models which can be tested experimentally and will thereby facilitate the selection of the model that is closer to nature.