10.1021/jp3026368.s001
Alexander
M. Morrison
Alexander
M.
Morrison
Jay Agarwal
Jay
Agarwal
Henry F. Schaefer
Henry F.
Schaefer
Gary E. Douberly
Gary E.
Douberly
Infrared Laser Spectroscopy
of the CH<sub>3</sub>OO
Radical Formed from the Reaction of CH<sub>3</sub> and O<sub>2</sub> within a Helium Nanodroplet
American Chemical Society
2012
CH 3OO
CH 3
ab initio calculations
helium solvated CH 3OO
gas phase band origins
helium atom evaporation
O 2 reaction
Infrared Laser Spectroscopy
Helium NanodropletHelium nanodroplet isolation
O 2
CH 3OO Radical
CH stretch region
O 2 reactants
2012-06-07 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Infrared_Laser_Spectroscopy_of_the_CH_sub_3_sub_OO_Radical_Formed_from_the_Reaction_of_CH_sub_3_sub_and_O_sub_2_sub_within_a_Helium_Nanodroplet/2515750
Helium nanodroplet isolation and infrared laser spectroscopy
are
used to investigate the CH<sub>3</sub> + O<sub>2</sub> reaction. Helium
nanodroplets are doped with methyl radicals that are generated in
an effusive pyrolysis source. Downstream from the introduction of
CH<sub>3</sub>, the droplets are doped with O<sub>2</sub> from a gas
pick-up cell. The CH<sub>3</sub> + O<sub>2</sub> reaction therefore
occurs between sequentially picked-up and presumably cold CH<sub>3</sub> and O<sub>2</sub> reactants. The reaction is known to lead barrierlessly
to the methyl peroxy radical, CH<sub>3</sub>OO. The ∼30 kcal/mol
bond energy is dissipated by helium atom evaporation, and the infrared
spectrum in the CH stretch region reveals a large abundance of droplets
containing the cold, helium solvated CH<sub>3</sub>OO radical. The
CH<sub>3</sub>OO infrared spectrum is assigned on the basis of comparisons
to high-level ab initio calculations and to the gas phase band origins
and rotational constants.