Physisorption-induced C-H bond elongation in methane

Physisorption-induced C-H bond elongation in methane

Physisorption of methane to a Pt surface was studied by x-ray absorption spectroscopy in combination with density functional theory spectrum calculations. The experiment shows new electronic states appearing upon physisorption. We find that these states are due to orbital mixing causing charge polar...

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Veröffentlicht in:Physical review letters 2006-04, Vol.96 (14), p.146104-146104, Article 146104
Hauptverfasser: Oström, H, Ogasawara, H, Näslund, L-A, Pettersson, L G M, Nilsson, A
Format: Artikel
Sprache:eng
Schlagworte:
03 NATURAL GAS
ELONGATION
METHANE
Other,OTHER
PHYSICS
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Zusammenfassung:Physisorption of methane to a Pt surface was studied by x-ray absorption spectroscopy in combination with density functional theory spectrum calculations. The experiment shows new electronic states appearing upon physisorption. We find that these states are due to orbital mixing causing charge polarization as a means to minimize Pauli repulsion. The results can be explained by elongation of 1 C-H bond by 0.09 A in the physisorbed state even though no covalent chemical bond is formed.
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.96.146104