单个金（III）卟啉分子的光谱扫描隧道显微镜研究。

Spectroscopic STM studies of single gold(III) porphyrin molecules.

机构信息

Department of Solid State Physics and Institute of Inorganic Chemistry, Johannes Kepler University, Altenbergerstrasse 69, 4040 Linz, Austria.

出版信息

J Am Chem Soc. 2009 Dec 16;131(49):17740-1. doi: 10.1021/ja908157j.

DOI:10.1021/ja908157j

PMID:19995071

Abstract

Low-temperature scanning tunneling microscopy, a well-established technique for single-molecule investigations in an ultrahigh vacuum environment, has been used to study the electronic properties of Au(III) 5,10,15,20-tetraphenylporphyrin (AuTPP) molecules on Au(111) at the submolecular scale. AuTPP serves as a model system for chemotherapeutically relevant Au(III) porphyrins. For the first time, real-space images and local scanning tunneling spectroscopy data of the frontier molecular orbitals of AuTPP are presented. A comparison with results from density functional theory reveals significant deviations from gas-phase behavior due to a non-negligible molecule/substrate interaction. We identify the oxidation state of the central metal ion in the adsorbed AuTPP as Au(3+).

摘要

低温扫描隧道显微镜是一种在超高真空环境下用于单分子研究的成熟技术，已被用于在亚分子尺度上研究 Au(III) 5,10,15,20-四苯基卟啉（AuTPP）分子在 Au(111)上的电子性质。AuTPP 是一种与化疗相关的 Au(III)卟啉的模型系统。本文首次呈现了 AuTPP 前线分子轨道的实空间图像和局域扫描隧道谱数据。与密度泛函理论的结果进行比较表明，由于不可忽略的分子/衬底相互作用，其表现出与气相行为显著的偏离。我们确定吸附的 AuTPP 中中心金属离子的氧化态为 Au(3+)。