DFT Calculation of the Enol Content of Acetone in the Presence of Water Clusters

We have reported the effect of small water clusters on keto−enol tautomerization of acetone molecule in gas and liquid phases using DFT method. The results shown that the enol content of acetone is slightly improved by the addition of water molecules. The water clusters could differently stabilize the keto- and enol-forms of acetone. Among them, a cluster of three water molecules increases the enol content more than the other.