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Title: Temperature Dependent Density Functional Study of the Singlet-Triplet Energy Gap in Charge-Separated States of Rigid Bichromophoric Molecules
Journal: J. Phys. Chem. A
Volume: 106
Page(s): 2924 - 2930
Year: 2002
Reference type: Journal article
Squib: 2002FOC/PRE2924-2930
Reaction:
CD3 + O· → Products
Reaction order:
2
Temperature:
308
K
Pressure: 4.00E-3 bar
Rate expression:
1.3x10-10 [±8.0x10-11 cm3/molecule s]
Category: Experiment
Data type:
Derived from fitting to a complex mechanism
Experimental procedure:
Other
Excitation technique:
Flash photolysis (laser or conventional)
Time resolution:
In real time
Analytical technique:
Mass spectrometry
Comments:
1) The uncertainty reflects the combined uncertainty of the branching ratio and rate coefficient measurements. Uncertainty includes systematic uncertainty contributions.2) Photoionization/time-of-flight mass spectrometry monitored the concentrations of the precursor species, reactants, and products simultaneously. Data obtained in real time in a 17 m/s flow reactor.
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