Hybridization of organic molecular orbitals with substrate states at interfaces: PTCDA on silver.
Hybridization of organic molecular orbitals with substrate states at interfaces: PTCDA on silver.
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有机分子轨道与界面底物态的杂化：银上的 PTCDA。
DOI：
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发表时间：
2010
影响因子：
8.6
通讯作者：
F. Reinert
中科院分区：
文献类型：
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作者：
J. Ziroff;F. Forster;A. Scholl;P. Puschnig;F. Reinert
我们演示了轨道k空间层析成像在金属-有机界面发生的键合分析中的应用。利用角分辨光电子能谱，研究了Ag（110）和Ag（111）表面上单层3,4,9,10 -苝-四羧基二酐（PTCDA）的最高已占据分子轨道和前最低未占据分子轨道（LUMO）的空间结构，特别是轨道间杂化和底物电子态的影响。我们能够量化和定位底物对LUMO的贡献，从而证明了这种配合态的金属-分子杂化特性。
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.