Photofragmentation of I₂ molecules inside helium clusters: model calculations using a quantum effective potential

Abstract

We report the results of model calculations for the photodissociation of iodine molecules inside liquid helium clusters composed of several thousand atoms. The helium clusters are described by a quantum effective potential between helium atoms. Classical trajectories are run with this potential model in order to determine excitation energy thresholds for caging of atomic iodine fragments followed by recombination or, alternatively, production of photofragments which leave the helium cluster. Typical photofragments are iodine atoms carrying along a certain number of helium atoms. The computed photofragment velocity and size distributions for several cluster sizes compare favourably with experimental observations for related molecular systems.

GRAPHICAL ABSTRACT

Keywords:

• Photodissociation
• cage effect
• helium nanodroplets
• molecular dynamics
• classical trajectories

Acknowledgements

We enjoyed numerous fruitful discussions with Rajko Ćosić during his visit to our laboratory.

Disclosure statement

No potential conflict of interest was reported by the author(s).