Electronic Spectra. Experimental vs. Semiclassical Electronic Spectra of Spectra of Naphthalene · Arn van der Waals Clusters

Classical molecular‐dynamics and Monte Carlo simulations were employed to study the structures, dynamics, vibrational power spectra and electronic spectra of naphthalene · Arn clusters. Theoretical electronic absorption spectra were calculated using the spectral density formalism of Mukamel et al.; a brief review of the formalism is given together with a simple application example for the naphthalene · Ar2 complex. The experimental R2PI spectra for the series of naphthalene · Arn clusters with n = 13 – 15 are discussed on the basis of the calculated spectra. The system is shown to undergo a wetting/nonwetting transition.