title: Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl2@((4)He)(N).
abstract: To investigate the quantum dynamics of the relaxation process of excited helium nanodroplets, (4)HeN, arising from the photodissociation of Cl2 embedded molecules (B ← X electronic transition), here we have performed a time dependent density functional theory (TDDFT) study considering nanodroplets of different sizes (N = 50, 100, 200, 300 and 500), extending a previous study which was centered on the photodissociation step. The relaxation process takes place in the timescale of several hundred picoseconds and a simple dependence of this process on time has been found. The results have been satisfactorily analyzed in terms of a phenomenological model proposed here and also by applying the Rice-Ramsperger-Kassel (RRK) statistical chemical kinetic model for unimolecular reactions. From what we know, this is the first time that the dynamics of these de-excitation processes has been studied, opening up a window for understanding them. We expect that this work will encourage further research on this little known but interesting phenomenon.
authors.affiliation: Departament Química Física i IQTC, Universitat de Barcelona, c/ Martí i Franquès, 1, 08028 Barcelona, Spain. miguel.gonzalez@ub.edu.
authors.forename: Arnau
authors.initials: A
authors.lastname: Vilà
authors.affiliation: Departament Química Física i IQTC, Universitat de Barcelona, c/ Martí i Franquès, 1, 08028 Barcelona, Spain. miguel.gonzalez@ub.edu.
authors.forename: Miguel
authors.initials: M
authors.lastname: González
authors.affiliation: Departament d'Estructura i Constituents de la Matèria, Universitat de Barcelona, c/ Martí i Franquès, 1, 08028 Barcelona, Spain. ricardo.mayol@ub.edu.
authors.forename: Ricardo
authors.initials: R
authors.lastname: Mayol