research

The highly excited C-H stretching states of CHD_3, CHT_3, and CH_3D

Abstract

Unlike many other molecules having local modes, the highly excited C-H stretching states of CHD_3 show well resolved experimental spectra and simple Fermi resonance behavior. In this paper the local mode features in this prototype molecule are examined using a curvilinear coordinate approach. Theory and experiment are used to identify the vibrational state coupling. Both kinetic and potential terms are employed in order to characterize the coupling of the C-H stretch to various other vibrational modes, notably those including D-C-H bending. Predictions are also made for CHT_3 and the role of dynamical coupling on the vibrational states of CH_3D explored. Implications of these findings for mode-specific and other couplings are discussed

    Similar works