Velocity Map Imaging and Theoretical Study of the Coulomb Explosion of CH3I under Intense Femtosecond IR Pulses

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 116; no. 11; pp. 2669 - 2677
• Main Authors: Corrales, María E, Gitzinger, Gregory, González-Vázquez, Jesús, Loriot, Vincent, de Nalda, Rebeca, Bañares, Luis
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 22-03-2012
• ISSN: 1089-5639; 1520-5215
• DOI: 10.1021/jp207367a

The Coulomb explosion of CH3I in an intense (10–100 TW cm–2), ultrashort (50 fs) and nonresonant (804 nm) laser field has been studied experimentally and justified theoretically. Ion images have been recorded using the velocity map imaging (VMI) technique for different singly and multiply charged ion fragments, CH3 p+ (p = 1) and I q+ (q ≤ 3), arising from different Coulomb explosion channels. The fragment kinetic energy distributions obtained from the measured images for these ion fragments show significantly lower energies than those expected considering only Coulomb repulsion forces. The experimental results have been rationalized in terms of one-dimensional wave packet calculations on ab initio potential energy curves of the different multiply charged species. The calculations reveal the existence of a potential energy barrier due to a bound minimum in the potential energy curve of the CH3I2+ species and a strong stabilization with respect to the pure Coulombic repulsion for the higher charged CH3I n+ (n = 3, 4) species.