The first activation stages of a Cu complex on top of a heated surface (750 K) are investigated by theoretical modelling. Two different types of mobility regimes intercalated by labile physisorption, i.e. a slow "bump-androck" diffusion over the surface and a fast "roll-and-go" motion accompanied by significant temperature-induced bonds oscillations, have been evidenced and described, enabling a deeper insight into "hot" surface molecular activation processes
"Hot" Surface Activation of Molecular Complexes: Insight from Modeling Studies
GASPAROTTO, ALBERTO;BARRECA, DAVIDE
2010
Abstract
The first activation stages of a Cu complex on top of a heated surface (750 K) are investigated by theoretical modelling. Two different types of mobility regimes intercalated by labile physisorption, i.e. a slow "bump-androck" diffusion over the surface and a fast "roll-and-go" motion accompanied by significant temperature-induced bonds oscillations, have been evidenced and described, enabling a deeper insight into "hot" surface molecular activation processesFile in questo prodotto:
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