TY  - JOUR
A1  - Heinrich, Benjamin W.
A1  - Ehlert, Christopher
A1  - Hatter, Nino
A1  - Braun, Lukas
A1  - Lotze, Christian
A1  - Saalfrank, Peter
A1  - Franke, Katharina J.
T1  - Control of oxidation and spin state in a single-molecule junction
JF  - ACS nano
N2  - 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.
KW  - porphyrin
KW  - oxidation state
KW  - spin state
KW  - scanning tunneling microscopy
KW  - scanning tunneling spectroscopy
KW  - density functional theory
Y1  - 2018
U6  - https://doi.org/10.1021/acsnano.8b00312
SN  - 1936-0851
SN  - 1936-086X
VL  - 12
IS  - 4
SP  - 3172
EP  - 3177
PB  - American Chemical Society
CY  - Washington
ER  - 
TY  - JOUR
A1  - Sternemann, C.
A1  - Wilke, Max
T1  - 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
JF  - High pressure research
N2  - 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.
KW  - X-ray Raman scattering
KW  - inelastic X-ray scattering
KW  - X-ray absorption
KW  - high pressure research
KW  - diamond anvil cell
KW  - minerals
KW  - glasses
KW  - melts
KW  - Earth materials
KW  - spin transition
KW  - bonding transition
KW  - coordination transformation
KW  - oxidation state
KW  - electronic structure
Y1  - 2016
U6  - https://doi.org/10.1080/08957959.2016.1198903
SN  - 0895-7959
SN  - 1477-2299
VL  - 36
SP  - 275
EP  - 292
PB  - IOP Publ. Ltd.
CY  - Abingdon
ER  -