Molecular Beam Scattering Experiments On Species Of Atmospheric Relevance: Potential Energy Surfaces For Clusters And Quantum Mechanical Prediction Of Spectral Features

摘要: Accurate intermolecular potential energy surfaces for the major compo- nents of atmosphere, leading to characterization O2-O2, N2-N2 and N2-O2 dimers, have been obtained from analysis scattering experiments our laboratory, also exploiting where avail- able second virial coefficient data. A harmonic expansion functional form describes geometries dimers accounts rel- ative contributions interaction components different nature. For singlet, triplet quintet are accounting role spin-spin coupling. The new sur- faces allow full structure internal dynamics clusters, whose bound states eigenfunctions by exact quantum mechanics. Besides information on nature bond, these results can be use in modelling air calculated rotovibrational levels provide a guidance spectra, thus establishing ground atmospheric monitoring. same approach is currently being extended simple hydrocarbons water molecules interacting with rare gas atoms or molecules.