Indication of a size-dependent transition from molecular to dissociative chemisorption on clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 60, Issue 23, 1999, Pages 15639-15642

  Burkart, S ^a   Blessing, N ^a   Gantefor G ^a  

^a UNIVERSITY OF KONSTANZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000270472     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.60.15639     Document Type: Article

References (21)

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20. Since there is one additional electron in the anion, the disappearance of peak A needs more consideration. The additional electron probably occupies a (formula presented)-derived orbital. With each chemisorbed (formula presented) molecule, two (formula presented) electrons are transferred into the new (formula presented) hybrid orbital and the remaining (formula presented) electrons can shift to more stable (formula presented) orbitals. Therefore, peaks A and B are assigned to emission from metal (formula presented) orbitals and the disappearance of peak A corresponds to the transfer of the last two electrons in to the (formula presented) hybrid orbital. Peak B is assigned to emission from the most stable (formula presented) metal state, which accommodates the last remaining (formula presented) electron (the additional one of the anion) in case of saturation.
21. In the anion the additional electron will probably increase the charge transfer into the antibonding (formula presented) orbital. However, it seems unlikely that the additional charge is localized at a single (formula presented) ligand. More likely, it is delocalized and distributed over the ligands, reducing its effect on charge transfer, analogous to the case of (formula presented) (Ref. 19).