High-resolution cavity ringdown spectroscopy of the jet-cooled ethyl peroxy radical C2H5O2

The Journal of Chemical Physics
Gabriel M P JustW Leo Meerts

Abstract

We have recorded high resolution, partially rotationally resolved, jet-cooled cavity ringdown spectra of the origin band of the A-X electronic transition of both the G and T conformers of the perproteo and perdeutero isotopologues of the ethyl peroxy radical, C(2)H(5)O(2). This transition, located in the near infrared, was studied using a narrow band laser source (< or approximately 250 MHz) and a supersonic slit-jet expansion coupled with an electric discharge allowing us to obtain rotational temperatures of about 15 K. All four spectra have been successfully simulated using an evolutionary algorithm approach with a Hamiltonian including rotational and spin-rotational terms. Excellent agreement with the experimental spectra was obtained by fitting seven molecular parameters in each ground and the first excited electronic states as well as the band origin of the electronic transition. This analysis unambiguously confirms the assignment of the lower frequency origin band to the G conformer and the higher frequency one to the T conformer.

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Citations

Oct 19, 2011·The Journal of Physical Chemistry. a·Dmitry MelnikTerry A Miller
Apr 30, 2010·Physical Chemistry Chemical Physics : PCCP·Gabriel M P JustW Leo Meerts
May 17, 2015·The Journal of Chemical Physics·Terrance CoddTerry A Miller
Oct 30, 2016·The Journal of Physical Chemistry. a·Emmanuel AssafChrista Fittschen
Jun 8, 2017·Physical Chemistry Chemical Physics : PCCP·Andrew M LaunderHenry F Schaefer
Feb 3, 2018·The Journal of Chemical Physics·Erin N SullivanDaniel M Neumark
Apr 5, 2019·The Journal of Physical Chemistry. a·Peter R FrankeGary E Douberly
Sep 29, 2021·Physical Chemistry Chemical Physics : PCCP·Zuoying WenWeijun Zhang

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Methods Mentioned

BETA
ringdown spectroscopy

Software Mentioned

EA
MP2
SPECVIEW
GAUSSIAN
Linux

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