Robert Parson

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Chemical bond breaking involves coupled electronic and nuclear dynamics that can take place on multiple electronic surfaces. Here we report a time-resolved experimental and theoretical investigation of nonadiabatic dynamics during photodissociation of a complex of iodine monobromide anion with carbon dioxide [IBr-(CO2)] on the second excited (A') electronic(More)
We simulate and interpret the photodissociation and recombination of I 2-embedded in CO 2 clusters using a Hamiltonian that accounts for the strong perturbation of the solute electronic structure by the solvent. The calculated product distributions agree well with the experimental results of Lineberger and co-workers. Excited-state dynamics are more(More)
  • Thomas C Pentecost, Laurie S Langdon, Margaret Asirvatham, Hannah Robus, Robert Parson, Luft
  • 2012
A new graduate teaching assistant (TA) training program has been developed to support curricular reforms in our large enrollment general chemistry courses. The focus of this training has been to support the TAs in the implementation of student-centered recitation sessions and support the professional development of the TAs. The training includes discussion(More)
We simulate the 395 nm photodissociation of I 2 Ϫ embedded in clusters of 6 to 22 CO 2 molecules. In the isolated molecule, photodissociation at this wavelength leads exclusively to spin-orbit excited iodine (I*) plus I Ϫ. In the larger clusters we observe efficient electronic relaxation, leading both to dissociated products containing ground-state iodine(More)
The interaction potentials between the six lowest electronic states of 1, and an arbitrary discrete charge distribution are calculated approximately using a one-electron model. The model potentials are much easier to calculate than ab initio potentials, with the cost of a single energy point scaling linearly with the number of solvent molecules, enabling(More)
Combining an effective Hamiltonian model of electronic structure with nonadiabatic molecular dynamics simulations, we calculate the recently measured transient photoelectron spectrum of I 2 Ϫ dissociated inside a cluster of argon atoms. We find good agreement between calculated and experimental spectra. The transient spectral shifts reflect the dynamics of(More)
We survey recent experimental and theoretical studies of photodissociation and recombination of dihalide ions in gas-phase clusters and liquid solution. A crucial property of these systems is the flow of excess charge within the solute, which is strongly coupled to the motion of the surrounding molecules. Using a model inspired by the theory of(More)