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.

Mid-infrared optical parametric oscillators and frequency combs for molecular spectroscopy

“…A HENDI setup essentially similar to that use by Douberly's group has also been used by the group of Havenith. They have investigated allyl radical in particular, as well as its reactions and complexation in nanodroplets [269,270,271] COLD ATOMS AND MOLECULES In the aforementioned research of trapped molecular ions, the cooling of the sample is achieved by exposing the ions to cryogenically cooled helium atoms. This method is suitable for studies in astrochemistry, as it permits cooling down to ~4 K, which is close to the lowest temperature (~3 K) in interstellar space.…”

“…264,268 A HENDI setup essentially similar to that use by Douberly's group has also been used by the group of Havenith. They have investigated allyl radical in particular, as well as its reactions and complexation in nanodroplets [269][270][271] Cold atoms and molecules. In the aforementioned research of trapped molecular ions, the cooling of the sample is achieved by exposing the ions to cryogenically cooled helium atoms.…”

Flash‐Vakuumpyrolyse – Techniken und Reaktionen

“…Allyl-Wasser-Cluster wurden in Gegenwart von H 2 Ou nd D 2 Ob eobachtet. [140] (37)];die Identifizierung erfolgte durch seine Matrix-IRund Matrix-UV-Spektren. [92,144] Die Pyrolysen wurden in leeren Quarzrohren (8 50 mm) bei 500-800 8 8C/10 À5 -10 À4 hPa durchgeführt.…”

Infrared Spectroscopy of the Tropyl Radical in Helium Droplets

“…Herein we report the application of helium droplet spectroscopy to probe the CH stretch region of the tropyl radical’s IR absorption spectrum. This technique has been shown to perform well for the acquisition of mid-IR spectra of radicals produced via pyrolysis of organic precursors. − Moreover, the helium solvent–solute interaction has been shown to be almost negligible with respect to its effect on vibrational band origins . We investigate the IR absorptions in the 2940–3140 cm –1 range.…”