A comparative study of 1,3-butadiene and 1-butene chemisorbed on Pt(111), and Pd(111)

Hydrogenation of 1,3-butadiene on Pd(111) and PdSn/Pd(111) surface alloys under UHV conditions

“…Our assignment is at variance with the NEXAFS results from Bertolini et al [9,10] who proposed a di-σ mode for butadiene on Pd(111) and explained the different selectivities of Pd(111) and Pt(111) by the different adsorption energies on both surfaces. But, as pointed out previously [14], the NEXAFS data also are in agreement with a tetra-σ configuration if a smaller distortion of the butadiene carbon backbone on Pd(111) compared with that on Pt(111) is considered.…”

“…The surface science approach toward catalysis uses simple model systems to establish correlations among adsorption modes, bond activation, and reactivity of a molecule. Because Pt and Pd show the highest activity for butadiene hydrogenation, several studies have focused on either reactivity studies under elevated pressure [4][5][6][7] or surface science studies under ultrahigh vacuum (UHV) conditions [8][9][10][11][12][13] on the two metals to gain insight into the adsorption modes and reaction mechanisms. In general, it to Pt(111), which decomposes butadiene under UHV conditions, it is possible to hydrogenate butadiene to butenes on PdSn alloys in UHV.…”

A theoretical view of 1,3-butadiene selective hydrogenation toward cis-2-butene on PdNi layered catalyst

“…Concerning the Pd/Ni(1 1 1) catalyst model, the intermediates present more favorable adsorptions and lower activation barriers than Pd 3 /Ni(1 1 1). The products would be mainly the butene isomers, with a slightly more selectivity toward 2B, in contrast to the pure Pd(1 1 1) surface [23], and in agreement with experimental data [8,[24][25][26][27][28]. Nevertheless, it is well known that 13BD is preferentially adsorbed with trans-geometry of 1,2,3,4-tetra-configuration on several transition metals [29][30][31], and for this reason the trans-2B isomer was always obtained.…”

“…where C 4 H x corresponds to 2B isomers and to 2B in co-adsorption with H and x is the amount of H atoms in the reaction (x = 8,9). For both reactions, negative values indicate the exothermicity of the reaction process.…”

Influence of the reactant concentration in selective hydrogenation of 1,3-butadiene over supported gold catalysts under alkene rich conditions: A consideration of reaction mechanism

“…Because of the stronger adsorption energy of the most unsaturated molecules (21)(22)(23)(24)(25) and in spite of the fact that the rate of hydrogenation of alkenes is higher than that of alkadienes (or alkynes) (5), butadiene adsorption inhibits alkene hydrogenation, thus palladium catalysts are selective (more subtle details can be found in the two recent reviews of Borodzinski and Bond (18,26)). This remains true as long as dienes (or alkynes) are present in the gas mixture.…”