Abstract by Madison Rhoades
Chemistry and Biochemistry
Comparison of Vibrational State Density to Energy in Fluorobenzene to Determine Gateway Modes
Work in our lab focuses on determining the rates of complex gaseous reactions, like combustion, by understanding of how the density of molecular vibrational state affect the energy transfer probability distribution function, P(E,E’). Work suggests that gateway modes, vibrational energy states that have a greater probability of transferring collisional energy, have a large impact of vibrational state density and thus P(E,E’). These states are determined by comparing the vibrational state density to the vibrational energy. Vibrational state densities of fluorobenzene molecules are being calculated to determine their gateway modes and results will be compared to experimental studies, to determine if this is an efficient method to determine gateway modes.