Chemical Physics Letters, Vol.499, No.1-3, 100-102, 2010
On the absorption properties of the excited states of DMABN
There is some recent controversy on whether the excited state absorption spectrum features of DMABN can be explained only with the two excited states responsible for the dual fluorescence in this compound. We have performed CASPT2 calculations on the optimized pi pi* excited state in gas phase and in water. The results reproduce the main experimental features of the spectra, leading to the conclusion that the participation of another excited state of different nature is not needed to explain the observed absorption bands. (c) 2010 Elsevier B. V. All rights reserved.