| The absorption spectrum of phenol-(H2O)2-cluster in the vincinity of the electronic origin of phenol is strikingly different from those spectra of phenol-(H2O)1 and Phenol-(H2O)3 clusters. In comparison with the narrow line spectra of the other clusters, a weak, broad and congested band structure has been observed with Phenol-(H2O)2. The life time of the excited state has been found to be unusually short, no fluorescence emission spectra due to low quantum yield could be measured. In this work stationary points on the S1 surface of these clusters have been determined at the time-dependent coupled cluster level of theory. Furthermore the point of lowest energy of conical intersection seam between S1 (pi->pi*) and S2 (pi->sigma*) state was located. |
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