SPECTROSCOPY AND INTRAMOLECULAR DYNAMICS VIA MOLECULAR VIBROGRAM ANALYSIS

Molecular spectra have traditionally been interpreted in the frequency domain and more recently in the time domain. For simple absorption and emission spectra these are the Fourier transform of one another. In this paper we illustrate that it can be useful to examine spectra in a compromise representation which balances uncertainties in time and energy. In this paper we give the basic ideas and several examples which reveal dynamical effects hidden in either energy or time representations. The resulting ''vibrogram'' is available from experimental spectra or theoretical calculations. (C) 1995 American Institute of Physics.