Activation of methane on iron, nickel, and platinum surfaces: a molecular orbital study

Conference · Fri Jan 01 04:00:00 EST 1988 · Prepr. Pap., Am. Chem. Soc., Div. Fuel Chem.; (United States)

OSTI ID:5963834

Anderson, A B; Maloney, J J

The activation of alkane CH bonds is the first step in hydrogenolysis and oxidation catalysis. It is clear from simple consideration of metal-hydrogen bond strengths (/similar to//<250kJ/mol) and CH bond strengths (434 kJ/mol for breaking the first CH bond in methane) that oxidative addition and not hydrogen atom abstraction will be the route followed on metal surfaces. In contract, O/sup /minus// defect centers at oxide surfaces do abstract hydrogen atoms from methane, forming gas phase methyl radicals. The greater strength of an OH bond over a CH bond allows this to happen; a molecular orbital analysis has been published recently. Though kinetic studies of alkane reactions on metal surfaces are large in number, little is known about catalyst surface composition and structure or the structure and electronic factors responsible for CH activation by metals. The purpose of the present work is to explore mechanisms, activation energies, and orbital interactions associated with the oxidative addition of a methane CH bond to several idealized clean transition metal surfaces.

• Research Organization: Case Western Reserve Univ., Cleveland, OH (USA)
• OSTI ID: 5963834
• Report Number(s): CONF-870802-
• Conference Information: Journal Name: Prepr. Pap., Am. Chem. Soc., Div. Fuel Chem.; (United States) Journal Volume: 32:3
• Country of Publication: United States
• Language: English

Related Subjects

090121* -- Hydrocarbon Fuels-- Chemical Synthesis-- (1976-1989)
10 SYNTHETIC FUELS
ACTIVATION ENERGY
ALKANES
CATALYTIC EFFECTS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DATA
ELEMENTS
ENERGY
EXPERIMENTAL DATA
HYDROCARBONS
INFORMATION
IRON
KINETICS
METALS
METHANE
NICKEL
NUMERICAL DATA
ORGANIC COMPOUNDS
OXIDATION
PLATINUM
PLATINUM METALS
REACTION KINETICS
SURFACE PROPERTIES
TRANSITION ELEMENTS