Now showing items 1-2 of 2
An IR and Computational Study of Pyridine-HCI and Its Fluorinated Analogs
Condensed phase effects on structure/bonding H-bonded complexes, e.g. HN-HCI, CHCN-HCI. A key issue is how medium effects affect extent of proton transfer. We are exploring pyridine and its fluorinated analogs as N ...
A Computational Study of IR Frequency Shifts in CH3CN-HCI
We are interested in the effects of bulk, condensed-phase media on the structural properties of molecular complexes, with an eye toward systems that change structure when the chemical environment is altered.