title: Visualizing the frontier orbitals of a conformationally adapted metalloporphyrin.
abstract: 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.
authors: Departments of Chemistry and Physics & Astronomy, The University of British Columbia, Vancouver BC V6T 1Z4, Canada. aweber@phas.ubc.ca
authors: Alexander
authors: A
authors: Weber-Bargioni
authors: Willi
authors: W
authors: Auwärter
authors: Florian
authors: F
authors: Klappenberger
authors: Joachim
authors: J
authors: Reichert
authors: Simon
authors: S
authors: Lefrançois
authors: Thomas
authors: T
authors: Strunskus
authors: Christof
authors: C
authors: Wöll
authors: Agustin
authors: A
authors: Schiffrin
authors: Yan
authors: Y
authors: Pennec
authors: Johannes V
authors: JV
authors: Barth
mesh_terms: D032701:Biomimetics; D002627:Chemistry, Physical / Q000379:methods*; D004583:Electrons; D008665:Metalloporphyrins / Q000737:chemistry*; D020527:Microscopy, Scanning Probe / Q000379:methods*; D016252:Microscopy, Scanning Tunneling / Q000379:methods; D008968:Molecular Conformation; D013052:Spectrometry, X-Ray Emission; D013696:Temperature
chemical_list: D008665:Metalloporphyrins