title: Experimental and theoretical investigation of HC5N adsorption on amorphous ice surface: simulation of the interstellar chemistry.
abstract: HC 5N adsorbed on amorphous water ice at 10 K presents an interaction with the ice surface and induces the restructuring of the ice amorphous bulk. Warming up the sample induces the HC 5N desorption from the H 2O ice film, between 120 and 160 K, and the associated desorption energy is 90 kJ/mol. This value is in good agreement with that calculated E d (80 kJ/mol) and gives evidence that the amorphous ice surface is essentially dynamic. From theoretical calculations, it is shown that the HC 5N moiety presents a curvature and is no more linear and stabilized by two strong N...H bonds (2.09 and 2.29 A) and one H...O bond (1.84 A).
authors.affiliation: UMR CNRS 6633, Physique des Interactions Ioniques et Moléculaires, Equipe de Spectrométries et Dynamique Moléculaires, Université de Provence, Case 252, Centre de St-Jérôme, 13397 Marseille cedex 20, France.
authors.forename: Anne
authors.initials: A
authors.lastname: Coupeaud
authors.forename: Nathalie
authors.initials: N
authors.lastname: Piétri
authors.forename: Alain
authors.initials: A
authors.lastname: Allouche
authors.forename: Jean-Pierre
authors.initials: JP
authors.lastname: Aycard
authors.forename: Isabelle
authors.initials: I
authors.lastname: Couturier-Tamburelli