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Hot surface activation of molecular complexes

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journal contribution
posted on 14.10.2017, 16:31 by gloria tabacchi, Ettore Fois, Eugenio Tondello, Davide Barreca, Alberto Gasparotto
Description of the content:

1)Green open access version (author version) of the paper:
"“Hot” Surface Activation of Molecular Complexes: Insight from Modeling Studies", published in: Angewandte Chemie International Edition, 2010, 49: 1944–1948, doi:10.1002/anie.200907312   
Which should be cited to refer this work.
Link to the paper at publisher site:

Abstract of the paper: 
Theoretical modeling of the first activation stages of a Cu complex on top of a heated surface (750 K) revealed two mobility regimes, a slow diffusion over the surface and a fast rolling motion accompanied by significant temperature-induced bonds oscillations. This study enables a deeper insight into high-temperature molecular activation processes on oxide surfaces.

2) pictures of the table of content and frontispiece

Further material (a poster, two  movies, summary/explanation of the paper) is available at the links below. 


MIUR-PRIN-2007 project “Microscopic features of chemical reactivity”, CNR-INSTM PROMO and CARIPARO Foundation within the project “Multi-layer optical devices based on inorganic and hybrid materials by innovative synthetic strategies”