TY  - JOUR
AU  - Stadtmüller, Benjamin
AU  - Lüftner, Daniel
AU  - Willenbockel, Martin
AU  - Reinisch, Eva M.
AU  - Sueyoshi, Tomoki
AU  - Koller, Georg
AU  - Subach, Sergey
AU  - Ramsey, Michael G.
AU  - Puschnig, Peter
AU  - Tautz, Frank Stefan
AU  - Kumpf, Christian
TI  - Unexpected interplay of bonding height and energy level alignment at heteromolecular hybrid interfaces
JO  - Nature Communications
VL  - 5
SN  - 2041-1723
CY  - London
PB  - Nature Publishing Group
M1  - FZJ-2015-03351
SP  - 3685
PY  - 2014
AB  - Although geometric and electronic properties of any physical or chemical system are always mutually coupled by the rules of quantum mechanics, counterintuitive coincidences between the two are sometimes observed. The coadsorption of the organic molecules 3,4,9,10-perylene tetracarboxylic dianhydride and copper-II-phthalocyanine on Ag(111) represents such a case, since geometric and electronic structures appear to be decoupled: one molecule moves away from the substrate while its electronic structure indicates a stronger chemical interaction, and vice versa for the other. Our comprehensive experimental and ab-initio theoretical study reveals that, mediated by the metal surface, both species mutually amplify their charge-donating and -accepting characters, respectively. This resolves the apparent paradox, and demonstrates with exceptional clarity how geometric and electronic bonding parameters are intertwined at metal–organic interfaces.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000335222000001
C6  - pmid:24739211
DO  - DOI:10.1038/ncomms4685
UR  - https://juser.fz-juelich.de/record/201041
ER  -