TY - DATA T1 - Infrared Laser Spectroscopy of the CH3OO Radical Formed from the Reaction of CH3 and O2 within a Helium Nanodroplet PY - 2012/06/07 AU - Alexander M. Morrison AU - Jay Agarwal AU - Henry F. Schaefer AU - Gary E. Douberly UR - 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 DO - 10.1021/jp3026368.s001 L4 - https://ndownloader.figshare.com/files/4158679 KW - CH 3OO KW - CH 3 KW - ab initio calculations KW - helium solvated CH 3OO KW - gas phase band origins KW - helium atom evaporation KW - O 2 reaction KW - Infrared Laser Spectroscopy KW - Helium NanodropletHelium nanodroplet isolation KW - O 2 KW - CH 3OO Radical KW - CH stretch region KW - O 2 reactants N2 - Helium nanodroplet isolation and infrared laser spectroscopy are used to investigate the CH3 + O2 reaction. Helium nanodroplets are doped with methyl radicals that are generated in an effusive pyrolysis source. Downstream from the introduction of CH3, the droplets are doped with O2 from a gas pick-up cell. The CH3 + O2 reaction therefore occurs between sequentially picked-up and presumably cold CH3 and O2 reactants. The reaction is known to lead barrierlessly to the methyl peroxy radical, CH3OO. 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 CH3OO radical. The CH3OO 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. ER -