@article{HeinrichEhlertHatteretal.2018, author = {Heinrich, Benjamin W. and Ehlert, Christopher and Hatter, Nino and Braun, Lukas and Lotze, Christian and Saalfrank, Peter and Franke, Katharina J.}, title = {Control of oxidation and spin state in a single-molecule junction}, series = {ACS nano}, volume = {12}, journal = {ACS nano}, number = {4}, publisher = {American Chemical Society}, address = {Washington}, issn = {1936-0851}, doi = {10.1021/acsnano.8b00312}, pages = {3172 -- 3177}, year = {2018}, 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 electron 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.}, language = {en} }