COLL 354 |
| Christof Wöll, Lehrstuhl für Physikalische Chemie I, Lehrstuhl für Physikalische Chemie I, Ruhr-Universität Bochum, Universitätsstr. 150, Bochum, 44797, Germany |
| At first sight the physisorption of alkanes on noble metal surfaces appears not to be a topic of pronounced scientific interest. A closer inspection of the electronic and vibrations properties of saturated hydrocarbons e.g. adsorbed on Cu-surfaces, however, reveals a number of surprising phenomena. The most notable is the occurrence of soft vibrational C-H stretching modes. Although this anomalous behaviour has been known for about three decades and despite the relevance for C-H activation on metal surfaces, one of the present hot topics in heterogeneous catalysis, a satisfying explanation is still lacking. Here we will present the results of a combined experimental and theoretical effort, where vibrational spectroscopy and x-ray absorption spectroscopy have been combined with precise ab-initio wave-function based quantum chemical calculations where correlation effects (e.g. van der Waals interactions) were considered on the MP2 level. On the basis of these results, we can put forward a consistent explanation of the effects leading to the soft modes. |
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Adamson Award Symposium Honoring Dave Allara and Ralph Nuzzo
Division of Colloid and Surface Chemistry |