A Computational Study of the Oxidation of SO2 to SO3 by Gas-Phase Organic Oxidants

T Kurten, JR Lane, S Jørgensen… - The Journal of Physical …, 2011 - ACS Publications
We have studied the oxidation of SO2 to SO3 by four peroxyradicals and two carbonyl
oxides (Criegee intermediates) using both density functional theory, B3LYP, and explicitly …

[HTML][HTML] Laser-induced fluorescence and dispersed-fluorescence spectroscopy of the Ã2E− X̃2A1 transition of jet-cooled calcium methoxide (CaOCH3) radicals

AC Paul, K Sharma, MA Reza, H Telfah… - The Journal of …, 2019 - pubs.aip.org
Laser-induced fluorescence (LIF) and dispersed fluorescence (DF) spectra of the à 2 E− X ̃ 2
A 1 electronic transition of the calcium methoxide (CaOCH 3) radical have been obtained …

Rate constant and branching ratio for the reactions of the ethyl peroxy radical with itself and with the ethoxy radical

M Shamas, M Assali, C Zhang, X Tang… - ACS Earth and Space …, 2021 - ACS Publications
The self-reaction of the ethyl peroxy radical (C2H5O2)(1) has been studied using laser
photolysis coupled to a selective time-resolved detection of two different radicals by …

Absorption Spectrum and Absolute Absorption Cross Sections of CH3O2 Radicals and CH3I Molecules in the Wavelength Range 7473–7497 cm–1

EP Faragó, B Viskolcz, C Schoemaecker… - The Journal of …, 2013 - ACS Publications
The absorption spectrum of CH3O2 radicals and CH3I molecules has been measured in the
range 7473–7497 cm–1. CH3O2 radicals have been generated by 248 nm laser photolysis …

Absolute absorption cross-section of the A← X electronic transition of the ethyl peroxy radical and rate constant of its cross reaction with HO2

C Zhang, M Shamas, M Assali, X Tang, W Zhang… - Photonics, 2021 - mdpi.com
The absolute absorption cross-section of the ethyl peroxy radical C2H5O2 in the Ã← X˜
electronic transition with the peak wavelength at 7596 cm− 1 has been determined by the …

Calculated and empirical values of vibronic transition dipole moments of reactive chemical intermediates for determination of concentrations

IW Jones, JS Bersson, J Liu, K Sharma… - The Journal of …, 2023 - ACS Publications
Absorption spectroscopy has long been known as a technique for making molecular
concentration measurements and has received enhanced visibility in recent years with the …

Kinetic measurements of the C2H5O2 radical using time-resolved cavity ring-down spectroscopy with a continuous source

D Melnik, TA Miller - The Journal of Chemical Physics, 2013 - pubs.aip.org
We report on the design of a time-resolved, high duty-factor cavity ring-down apparatus
utilizing a continuous laser and detail a technique for the accurate and precise …

HCN quantitative measurement in a laminar low pressure flame at 1036 nm using pulsed CRDS technique

N Lamoureux, H El Merhubi, X Mercier… - Proceedings of the …, 2013 - Elsevier
The present work aims to quantitatively measure HCN in a low pressure premixed
CH4/N2O/O2/N2 flame after gas probe sampling. For that purpose, the (003)–(000) band of …

Ethylperoxy radical: approaching spectroscopic accuracy via coupled-cluster theory

AM Launder, JM Turney, J Agarwal… - Physical Chemistry …, 2017 - pubs.rsc.org
Interest in peroxy radicals derives from their central role in tropospheric and low-temperature
combustion processes; however, their transient nature limits the scope of possible …

Electronic Transition Moment for the 000 Band of the à ← X̃ Transition in the Ethyl Peroxy Radical

D Melnik, PS Thomas, TA Miller - The Journal of Physical …, 2011 - ACS Publications
The electronic transition moment for the G-conformer of ethyl peroxy was determined from
the experimentally measured value of the peak absorption cross-section and the simulation …