韩国梨花女子大学Choi, Taeyoung团队报道了铁酞菁单分子的电子自旋共振及其非定域自旋在磁相互作用中的作用。相关研究成果发表在2021年11月11日出版的国际知名学术期刊《自然—化学》。

电子自旋共振（ESR）光谱是通过自旋标记研究材料化学结构和与未配对自旋相关的材料电子结构的重要工具。然而，在分子系统中测得的ESR光谱是建立在大量自旋上的，通常需要复杂的结构分析。最近，扫描隧道显微镜与ESR的结合已被证明是一种强有力的工具，可以对表面上的单个原子自旋进行成像和相干控制。

该文中，研究人员将该技术扩展到单配位配合物铁酞菁（FePc），并研究它们的分子自旋与另一个分子自旋（在FePc–FePc二聚体中）或原子自旋（在FePc–Ti对中）之间的磁相互作用。结果表明，FePc的分子自旋密度不仅局限于中心Fe原子，而且分布在配体（Pc）上，产生了强烈的分子几何依赖性交换耦合。

附：英文原文

Title: Electron spin resonance of single iron phthalocyanine molecules and role of their non-localized spins in magnetic interactions

Author: Zhang, Xue, Wolf, Christoph, Wang, Yu, Aubin, Herv, Bilgeri, Tobias, Willke, Philip, Heinrich, Andreas J., Choi, Taeyoung

Issue&Volume: 2021-11-11

Abstract: Electron spin resonance (ESR) spectroscopy is a crucial tool, through spin labelling, in investigations of the chemical structure of materials and of the electronic structure of materials associated with unpaired spins. ESR spectra measured in molecular systems, however, are established on large ensembles of spins and usually require a complicated structural analysis. Recently, the combination of scanning tunnelling microscopy with ESR has proved to be a powerful tool to image and coherently control individual atomic spins on surfaces. Here we extend this technique to single coordination complexes—iron phthalocyanines (FePc)—and investigate the magnetic interactions between their molecular spin with either another molecular spin (in FePc–FePc dimers) or an atomic spin (in FePc–Ti pairs). We show that the molecular spin density of FePc is both localized at the central Fe atom and also distributed to the ligands (Pc), which yields a strongly molecular-geometry-dependent exchange coupling.

DOI: 10.1038/s41557-021-00827-7

Source: https://www.nature.com/articles/s41557-021-00827-7