Coulomb explosion imaging: the CHC3 and H3OC molecules

We calculate the thermally averaged probability distribution for the out-of-plane inversion motion of the CHC3 and H3OC molecules. Such distributions can be obtained experimentally by using Coulomb explosion imaging (CEI) techniques, and our results will be useful in the interpretation of such images. We calculate these probability distributions from the molecular wavefunctions that we obtain by solving variationally the nine-dimensional rotation–vibration Schro¨dinger equation using the recently developed ‘XY3’ Hamiltonian and computer program. q 2005 Elsevier B.V. All rights reserved