NONSTATISTICAL CHARGED FRAGMENTS DISTRIBUTION IN A COULOMB EXPLOSION FOLLOWING A SITE-SELECTIVE IONIZATION

Computed fragmentation patterns of CH3CF3 in the experiment of Habenicht et al. (preceding paper) are reported. Fully statistical computations, subject only to conservation of energy, matter, and charge, fail to reproduce the experimental results. Introducing a site-specific constraint that distinguishes the two carbon atoms leads to a better but not complete agreement with experiment. Results are also presented for a site-selective resonant excitation to a Rydberg level. The parent ion is then singly charged, and the observed fragmentation pattern is more nonstatistical than for the doubly charged ("Coulomb explosion") parent ion. The highest excess energy (approximately 45 eV) of the parent ion (and the best agreement with experiment) is for the site-selective ionization from the 1s orbital localized at the fluorine-carrying carbon atom.