From the tunneling dimer to the onset of microsolvation: Infrared spectroscopy of allyl radical water aggregates in helium nanodroplets.
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 dimer-like motif that is bound by one π-hydrogen bond to the allyl radical.
Department of Physical Chemistry II, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Daniel
D
Leicht
Department of Physical Chemistry II, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Matin
0000000329871611
M
Kaufmann
Department of Physical Chemistry II, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Nitish
N
Pal
Department of Physical Chemistry II, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Gerhard
000000032136907X
G
Schwaab
Department of Physical Chemistry II, Ruhr-Universität Bochum, 44780 Bochum, Germany.
Martina
0000000184755037
M
Havenith