Reaction of the Basal Plane of Graphite with the Methyl Radical.
The reaction of methyl radicals with the basal plane of graphite has been observed to occur with an activation energy of less than 0.3 eV. This reaction is initiated by Li-induced CH3Cl dissociation to produce CH3 radicals on the graphite surface. It is found that ∼3/4 of the methyl radicals remain on the graphite surface up to 700 K at puckered sp(3) carbon sites, while 1/4 of the CH3 radicals participate in CH4 formation and small amounts of C2 and C3 hydrocarbon formation. CH3 radicals become mobile over an activation energy barrier of ∼0.7 eV.
†Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904, United States.
Lynn
L
Mandeltort
‡Department of Chemical Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.
Pabitra
P
Choudhury
‡Department of Chemical Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States.|§National Energy Technology Laboratory, Pittsburgh, Pennsylvania 15236, United States.
J Karl
JK
Johnson
†Department of Chemistry, University of Virginia, Charlottesville, Virginia 22904, United States.
John T
JT
Yates
DFT; Li-doped graphite; TPD; graphite; methyl; sp2−sp3; surface reactions