Molecular Jet Study of the Solvation of Benzene by Methane, Ethane, and Propane.
COLORADO STATE UNIV FORT COLLINS DEPT OF CHEMISTRY
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Two color time of flight mass spectroscopy studies of benzene solvated by methane, ethane, and propane in a molecular jet has been carried out. Absorption has been characterized for transitions of benzene alkaneXX1,2,3.... Atom-atom exponential-6 potentials have been employed to calculate cluster geometry and binding energy. Comparisons between calculations and experiments allow the identification of specific configurations for the cluster spectroscopic transitions. Cluster spectral shifts can also be identified and a correlation between the size of the cluster red shift and geometry has been developed. The closer the solvent is to the aromatic pi system of the ring, the larger the red shift. Relative intensity data for different clusters has led to the classification of cluster nucleation. Most clusters are formed by the interaction of solvent dimers or larger species with a solute molecule.
- *MASS SPECTROSCOPY
- *MOLECULE MOLECULE INTERACTIONS
- MOLECULAR SPECTROSCOPY
- NUCLEAR BINDING ENERGY
- Polymer Chemistry
- Atomic and Molecular Physics and Spectroscopy