Theoretical Studies on the Unimolecular Reactions of Polyatomic Molecule Ions. I. Propane

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Abstract
This paper describes calculations on the unimolecular reactions of propane molecule ions using the quasiequilibrium theory of mass spectra. The invalid classical approximation to the number of states of a collection of harmonic oscillators, used in earlier calculations, is replaced for these calculations by an improved continuous approximation described previously. The results of the calculations are compared with experimental data obtained by electron‐impact ionization, photoionization, and charge‐exchange ionization. The variations in the mass spectra with temperature and with energy of the impacting particles are included in the calculations and comparisons. The quasiequilibrium theory in its improved form is found to be a satisfactory approximation for propane. A number of the apparently diverse features of the measured mass spectra of propane are shown to be consistent with the theory.