Fragmentation dynamics of methane induced by femtosecond laser pulses

Abstract

In this study it has been carried out theoretical simulations of ab-initio molecular dynamics of the C–H photo-dissociation of methane induced by femtosecond laser pulses. Our discussion about the reaction mechanism leading to the formation of the H and CH3 fragments is based on the rectification of the Lorentz force. Such an electric force rectification occurs via a periodical charge transfer between H and CH3 induced by the strong infrared laser pulse.