| Abstract
| - The intramolecular hydrogen bond in the enol-acethylacetone (ACAC) is investigated by performing reduced-dimensional quantum calculations. To analyze the shared proton vibrations, two sets of coordinates wereemployed: normal mode coordinates describing the motion in the vicinity of the most stable configuration,and internal coordinates accounting for the double minimum proton motion. It is proved that the extremebroadness of the OH-stretch band in ACAC is a consequence of the coexistence of two enol-ACACstructures: the global minimum and the transition state for rotation of the distal methyl group. Further, aground-state tunneling splitting of 116 cm-1 is found, and it is shown that the inclusion of the kinematiccoupling is mandatory when treating large-amplitude proton motion. In the OH-stretch direction a splitting of853 cm-1 was predicted.
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