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  -