PSI VUV About Database

Dichloromethane

Aliases methylene chloride
Freon-30
methylene dichloride
methane dichloride
methylene bichloride
NCI-C50102
UN 1593
Mass / amu 84.93
Sum formula CH2Cl2
InChI InChI=1S/CH2Cl2/c2-1-3/h1H2
CAS 75-09-2
PubChem 6344
Structure n/a
AIE / eV 11
AIE comment 10.1016/j.jms.2015.02.012

TPES 11-13 eV

Citation 10.1016/j.jms.2015.02.012
Type Threshold photoelectron spectrum
T / K 298
Source effusive
Resolution / meV 4
Flux normalization yes
Comments 120 V/cm extraction field
Date & facility 2015 VUV/SLS
Date entered 2022-12-12
AB

FC Simulation X+ 2B2 state

Citation 10.1016/j.jms.2015.02.012
Type Franck-Condon simulation
T / K 300
Level of theory EOM-IP-CCSD/cc-pVTZ
Comments 120 V/cm extraction field
Date & facility 2015 VUV/SLS
Date entered 2022-12-12
AB

FC Simulation A+ 2B1 state

Citation 10.1016/j.jms.2015.02.012
Type Franck-Condon simulation
T / K 300
Level of theory effusive
Convolution FWHM / meV 25
Comments 120 V/cm extraction field
Date & facility 2015 VUV/SLS
Date entered 2022-12-12
AB

FC Simulation C+ 2A2 state

Citation 10.1016/j.jms.2015.02.012
Type Franck-Condon simulation
T / K 300
Level of theory effusive
Convolution FWHM / meV 25
Comments 120 V/cm extraction field
Date & facility 2015 VUV/SLS
Date entered 2022-12-12
AB