Hybridization of organic molecular orbitals with substrate states at interfaces: PTCDA on silver.
نویسندگان
چکیده
We demonstrate the application of orbital k-space tomography for the analysis of the bonding occurring at metal-organic interfaces. Using angle-resolved photoelectron spectroscopy, we probe the spatial structure of the highest occupied molecular orbital and the former lowest unoccupied molecular orbital (LUMO) of one monolayer 3, 4, 9, 10-perylene-tetracarboxylic-dianhydride (PTCDA) on Ag(110) and (111) surfaces and, in particular, the influence of the hybridization between the orbitals and the electronic states of the substrate. We are able to quantify and localize the substrate contribution to the LUMO and thus prove the metal-molecule hybrid character of this complex state.
منابع مشابه
Electronic polarization at surfaces and thin films of organic molecular crystals: PTCDA
The electronic polarization energies, P 1⁄4 Pþ þ P , of a perylenetetracarboxylic acid dianhydride (PTCDA) cation and anion in a crystalline thin film on a metallic substrate are computed and compared with measurements of the PTCDA transport gap on gold and silver. Both experiments and theory show that P is 500 meV larger in a PTCDA monolayer than in 50 A films. Electronic polarization in syste...
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عنوان ژورنال:
- Physical review letters
دوره 104 23 شماره
صفحات -
تاریخ انتشار 2010