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)
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)
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)
Using nonadiabatic molecular dynamics simulations, we present evidence that the 2 ps peak in the pump–probe spectrum of I 2 Ϫ dissociated inside CO 2 clusters is due to transitions from the ground state to the spin–orbit excited states, rather than to excited-state absorption as previously assigned.
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)
Date: ________________ The final copy of this thesis has been examined by the signatories, and we find that both the content and the form meet acceptable presentation standards of scholarly work in the above mentioned discipline. Photofragmentation studies of mass-selected, partially-solvated anionic clusters are performed to investigate solvent-number… (More)