Molecular distortions and chemical bonding of a large pi-conjugated molecule on a metal surface.
Phys Rev Lett
; 94(3): 036106, 2005 Jan 28.
Article
in En
| MEDLINE
| ID: mdl-15698289
ABSTRACT
Normal incidence x-ray standing wave experiments and density functional theory reveal that 3,4,9,10-perylene-tetracarboxylic-dianhydride chemisorbs on Ag(111) in a nonplanar but vertically distorted configuration. The carboxylic O atoms are 0.18 +/- 0.03 angstroms closer to the surface than the perylene core. The distortion is related to weak, local bonds between carboxylic O atoms and the Ag surface which are coupled--through charge transfer into the former lowest unoccupied molecular orbital--to the primary, extended chemisorption bond via the perylene skeleton.
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Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Phys Rev Lett
Year:
2005
Document type:
Article
Affiliation country:
Alemania