Multiphoton Ionization Mass Spectrometry

Abstract

Theoretical investigation of a chemical reaction requires detailed knowledge of the potential energy of the molecular system. As a first step in such a study, minimum-energy reaction paths have to be mapped on a generally multidimensional molecular potential surface. Even at this stage problems are encountered that have only recently been solved satisfactorily. The dificul- ties involved and various ways to handle them are discussed in connection with a two-paramet- ric model potential. Three chemical reactions examined illustrate the usefulness of such theo- retical investigations as well as their current limitations.