From the tunneling dimer to the onset of microsolvation: Infrared spectroscopy of allyl radical water aggregates in helium nanodroplets.

Autor: Leicht, Daniel, Kaufmann, Matin, Pal, Nitish, Schwaab, Gerhard, Havenith, Martina
Předmět:
Zdroj: Journal of Chemical Physics; 2017, Vol. 146 Issue 11, p1-8, 8p, 3 Diagrams, 2 Charts, 5 Graphs
Abstrakt: The infrared spectrum of allyl:water clusters embedded in helium nanodroplets was recorded. Allyl radicals were produced by flash vacuum pyrolysis and trapped in helium droplets. Deuterated water was added to the doped droplets, and the infrared spectrum of the radical water aggregates was recorded in the frequency range 2570-2820 cm-1. Several absorption bands are observed and assigned to 1:1 and 1:2 allyl:D2O clusters, based on pressure dependent measurements and accompanying quantum chemical calculations. The analysis of the 1:1 cluster spectrum revealed a tunneling splitting as well as a combination band. For the 1:2 cluster, we observe a water dimerlike motif that is bound by one Π-hydrogen bond to the allyl radical. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index