Title:
Control of oxidation and spin state in a single-molecule junction
Author(s):
Heinrich, Benjamin W.; Ehlert, Christopher; Hatter, Nino; Braun, Lukas; Lotze, Christian; Saalfrank, Peter; Franke, Katharina J.
Year of publication:
2018
Available Date:
2020-04-07T11:13:56Z
Abstract:
The oxidation and spin state of a metal–organic molecule determine its chemical reactivity and magnetic properties. Here, we demonstrate the reversible control of the oxidation and spin state in a single Fe porphyrin molecule in the force field of the tip of a scanning tunneling microscope. Within the regimes of half-integer and integer spin state, we can further track the evolution of the magnetocrystalline anisotropy. Our experimental results are corroborated by density functional theory and wave function theory. This combined analysis allows us to draw a complete picture of the molecular states over a large range of intramolecular deformations.
Part of Identifier:
ISSN (print): 1936-0851
e-ISSN (online): 1936-086X
Keywords:
porphyrin
oxidation state
spin state
scanning tunneling microscopy
scanning tunneling spectroscopy
density functional theory
DDC-Classification:
530 Physik
Publication Type:
Wissenschaftlicher Artikel
URL of the Original Publication:
DOI of the Original Publication:
Department/institution:
Physik
Comments:
This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Nano, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/acsnano.8b00312.
