title: IR-spectroscopic study of the allyl + NO reaction in helium nanodroplets.
abstract: The IR-spectrum of the allyl-NO adduct (CH2-CH-CH2-NO) in helium nanodroplets has been recorded in the frequency region 2850-3120 cm(-1). CH2-CH-CH2-NO has been investigated as a prototype of the product of radical-radical reactions at 0.37 K. The product of the reaction, 3-nitroso-1-propene, was formed via the reaction of allyl and NO within the helium droplets. For an assignment we have predicted the conformers of the CH2-CH-CH2-NO using density functional theory (DFT) with a BLYP functional and a TZVPP basis set. By comparison with the experimental spectrum we can show that all three conformers are stabilized in superfluid helium nanodroplets.
authors.affiliation: Department of Physical Chemistry II, Ruhr-University Bochum, 44801 Bochum, Germany.
authors.forename: Daniel
authors.initials: D
authors.lastname: Habig
authors.affiliation: Department of Physical Chemistry II, Ruhr-University Bochum, 44801 Bochum, Germany.
authors.forename: Daniel
authors.initials: D
authors.lastname: Leicht
authors.affiliation: Department of Physical Chemistry II, Ruhr-University Bochum, 44801 Bochum, Germany.
authors.forename: Matin
authors.initials: M
authors.lastname: Kaufmann
authors.affiliation: Department of Physical Chemistry II, Ruhr-University Bochum, 44801 Bochum, Germany.
authors.forename: Gerhard
authors.initials: G
authors.lastname: Schwaab
authors.affiliation: Department of Physical Chemistry II, Ruhr-University Bochum, 44801 Bochum, Germany.
authors.forename: Martina
authors.initials: M
authors.lastname: Havenith