Weber-Bargioni Alexander, Auwärter Willi, Klappenberger Florian, Reichert Joachim, Lefrançois Simon, Strunskus Thomas, Wöll Christof, Schiffrin Agustin, Pennec Yan, Barth Johannes V
Departments of Chemistry and Physics & Astronomy, The University of British Columbia, Vancouver BC V6T 1Z4, Canada.
Chemphyschem. 2008 Jan 11;9(1):89-94. doi: 10.1002/cphc.200700600.
We present a molecular-level study of the geometric and electronic properties of Co(II) tetraphenylporphyrin molecules adsorbed on the Cu(111) surface. A combination of low-temperature scanning tunneling microscopy and near-edge X-ray absorption fine structure observations reveals how the metal substrate induces a conformational adaptation into a distorted saddle-shaped geometry. By scanning tunneling spectroscopy we identified the discrete energy levels of the molecule and mapped their spatial electron-density distributions. These results, along with a simple theoretical description, provide a direct correlation between the shape of frontier molecular orbitals and intramolecular structural features.
我们展示了一项关于吸附在Cu(111)表面的Co(II)四苯基卟啉分子的几何和电子性质的分子水平研究。低温扫描隧道显微镜和近边X射线吸收精细结构观测相结合，揭示了金属衬底如何诱导分子构象适应为扭曲的鞍形几何结构。通过扫描隧道光谱，我们确定了分子的离散能级，并绘制了它们的空间电子密度分布。这些结果，连同简单的理论描述，提供了前沿分子轨道形状与分子内结构特征之间的直接关联。
