@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} } @article{SternemannWilke2016, author = {Sternemann, C. and Wilke, Max}, title = {Spectroscopy of low and intermediate Z elements at extreme conditions: in situ studies of Earth materials at pressure and temperature via X-ray Raman scattering}, series = {High pressure research}, volume = {36}, journal = {High pressure research}, publisher = {IOP Publ. Ltd.}, address = {Abingdon}, issn = {0895-7959}, doi = {10.1080/08957959.2016.1198903}, pages = {275 -- 292}, year = {2016}, abstract = {X-ray Raman scattering spectroscopy is an emerging method in the study of low and intermediate Z elements' core-electron excitations at extreme conditions in order to reveal information on local structure and electronic state of matter in situ. We discuss the capabilities of this method to address questions in Earth materials' science and demonstrate its sensitivity to detect changes in the oxidation state, electronic structure, coordination, and spin state. Examples are presented for the study of the oxygen K-, silicon L- and iron M-edges. We assess the application of both temperature and pressure in such investigations exploiting diamond anvil cells in combination with resistive or laser heating which is required to achieve realistic conditions of the Earth's crust, mantle, and core.}, language = {en} }