Unraveling orbital hybridization of triplet emitters at the metal-organic interface.
Unraveling orbital hybridization of triplet emitters at the metal-organic interface.
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揭示金属-有机界面三线态发射体的轨道杂化
DOI：
10.1103/physrevlett.111.267401
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发表时间：
2013
影响因子：
8.6
通讯作者：
D. Wegner
中科院分区：
文献类型：
--
作者：
P. R. Ewen;J. Sanning;N. L. Doltsinis;M. Mauro;C. A. Strassert;D. Wegner
我们利用扫描隧道显微镜和光谱学以及密度泛函理论研究了磷光平面铂（II）配合物在Au（111）界面的亚分子分辨结构和电子性质。我们的分析表明，分子-基底耦合和横向分子间相互作用是弱的。虽然配体轨道与衬底接触后基本上保持不变，我们发现改性的电子行为在Pt原子由于本地杂化和电荷转移到衬底。因此，这类新的磷光分子表现出明确的和可调的相互作用与其局部环境。
We have investigated the structural and electronic properties of phosphorescent planar platinum(II) complexes at the interface of Au(111) with submolecular resolution using combined scanning tunneling microscopy and spectroscopy as well as density functional theory. Our analysis shows that molecule-substrate coupling and lateral intermolecular interactions are weak. While the ligand orbitals remain essentially unchanged upon contact with the substrate, we found modified electronic behavior at the Pt atom due to local hybridization and charge transfer to the substrate. Thus, this novel class of phosphorescent molecules exhibits well-defined and tunable interaction with its local environment.