PSI VUV About Database

Methylperoxy

Aliases methylperoxy radical
methyldioxy
methyldioxy radical
Mass / amu 47.03
Sum formula CH3O2
InChI InChI=1S/CH3O2/c1-3-2/h1H3
CAS 2143-58-0
PubChem 123144
Structure n/a
AIE / eV 10.27
AIE comment 10.1021/acs.jpclett.7b03145

ms-TPES 10-11.3 eV

Citation 10.1021/acs.jpclett.7b03145
Type Mass-selected threshold photoelectron spectrum
Further references 10.1063/1.4984304
10.1016/j.nima.2009.08.069
T / K 300
Source laser photololysis 355 nm
Resolution / meV 5
Flux normalization yes
Comments Methane, Cl₂ (2% in Ar), and excess O₂ mixed in situ, Total pressure: 1.1 mbar, chlorine and O₂ concentrations optimized for CH₃OO⁺ ion abundance, Nd:YAG laser
355 nm / 80 mJ/pulse / 20 Hz
Date & facility 2017, SLS
Date entered 2025-04-04
BS

PI spectrum 10-11.3 eV

Citation 10.1021/acs.jpclett.7b03145
Type Photoionization spectrum
Further references 10.1063/1.4984304
10.1016/j.nima.2009.08.069
T / K 300
Source laser photololysis 355 nm
Resolution / meV 5
Flux normalization yes
Comments Methane, Cl₂ (2% in Ar), and excess O₂ mixed in situ, Total pressure: 1.1 mbar, chlorine and O₂ concentrations optimized for CH₃OO⁺ ion abundance, Nd:YAG laser
355 nm / 80 mJ/pulse / 20 Hz
Date & facility 2017, SLS
Date entered 2025-04-04
BS

FC simulation 10-11.5 eV T0 and S0 transitions

Citation 10.1021/acs.jpclett.7b03145
Type Franck-Condon simulation
Further references FCFGaus09, PESCAL https://doi.org/10.1021/jp011779h
https://doi.org/10.1021/j100330a017
T / K 330
Level of theory CCSD/aug-cc-pVTZ
Convolution FWHM / meV 5
0-0 transition / eV 10.265
Comments see 10.1021/acs.jpclett.7b03145 for more details.
Date & facility 2016, SLS, PSI
Date entered 2025-05-15
BS

FC simulation T0 3A''

Citation 10.1021/acs.jpclett.7b03145
Type Franck-Condon simulation
Further references FCFGaus09, PESCAL https://doi.org/10.1021/jp011779h
https://doi.org/10.1021/j100330a017
T / K 330
Level of theory CCSD/aug-cc-pVTZ
Convolution FWHM / meV 5
0-0 transition / eV 10.265
Comments see 10.1021/acs.jpclett.7b03145 for more details.
Date & facility 2016, SLS, PSI
Date entered 2025-05-15
BS

FC simulation S0 1A'

Citation 10.1021/acs.jpclett.7b03145
Type Franck-Condon simulation
Further references FCFGaus09, PESCAL https://doi.org/10.1021/jp011779h
https://doi.org/10.1021/j100330a017
T / K 330
Level of theory CCSD/aug-cc-pVTZ
Convolution FWHM / meV 5
0-0 transition / eV 10.395
Comments see 10.1021/acs.jpclett.7b03145 for more details.
Date & facility 2016, SLS, PSI
Date entered 2025-05-15
BS