15min:

CHARLOTTE E. HINKLE, ANNE B. MCCOY, Department of Chemistry, The Ohio State University, Columbus, OH 43210.

Understanding the spectrum of CH₅⁺ is a problem of long standing interest. Of particular interest is gaining a better understanding of the two high resolution spectra; one observed by White et. al , and one that is partially assigned observed by the Nesbitt group. Using excited state Diffusion Monte Carlo techniques in combination with symmetry adapted linear combinations of the internal coordinates of CH₅⁺, obtained from group theoretical analysis of the G₂₄₀ CNPI group, we investigate the nature of the vibrationally, and rotationally excited states of CH₅⁺. By probing CH₅⁺ using these methods, we find that we are able to gain insights into the effects of the internal rotor motions of vibrationally excited states of CH₅⁺.