Benzene Clustered with N2, CO2, and CO: Energy Levels, Vibrational Structure and Nucleation

摘要

Two color time of flight mass spectroscopy is employed to study the van der Waals (vdW) clusters of benzene(N2)n(n<8), benzene(CO2)n(n<7), and benzene(CO)n (n=1,2) created in a supersonic molecular jet. Potential energy calculations of cluster geometries, normal coordinate analysis of vdW vibrational modes, and calculations of the internal rotational transitions are employed for the assignment of the benzene(solvent) cluster spectra. The respective vibronic and rotational selection rules for these clusters are determined based on the appropriate point groups and molecular symmetry groups of the clusters. Good agreement between the calculated and experimental spectra is obtained with regard to the vdW vibrational and internal rotational modes. Keywords: Clusters, Van der Waals modes, Supersonic jet spectroscopy, Nucleation, Benzene. (jes)