Journal of Chemical Physics, Vol.119, No.7, 3699-3710, 2003
Electronic photodissociation spectroscopy of Au-4(+)center dot Ar-n, n=0-4: Experiment and theory
We report experimental and theoretical studies of the electronic absorption spectra of mass selected Au-4(+).Ar-n (n=0-4) clusters in the photon energy range of 2.14-3.35 eV. Photodissociation spectra were recorded by monitoring ion depletion upon photon absorption, yielding absolute photodissociation cross sections. The experimental spectra were interpreted by comparing them with calculations of the optical response in the framework of time-dependent density functional theory using cluster structures calculated both by density functional theory (B3-LYP functional) and by ab initio calculations at the RI-MP2 level. (C) 2003 American Institute of Physics.