TY  - JOUR
A1  - Schifferle, Lukas
A1  - Lobanov, Sergey S.
T1  - Evolution of chemical bonding and spin-pairing energy in ferropericlase across Its spin transition
JF  - ACS Earth and Space Chemistry
N2  - The evolution of chemical bonding in ferropericlase, (Mg,Fe)O, with pressure may affect the physical and chemical properties of the Earth's lower mantle. Here, we report high-pressure optical absorption spectra of single-crystalline ferropericlase ((Mg0.87Fe0.13)O) up to 135 GPa. Combined with a re-evaluation of published partial fluorescence yield X-ray absorption spectroscopy data, we show that the covalency of the Fe-O bond increases with pressure, but the iron spin transition at 57-76.5 GPa reverses this trend. The qualitative crossover in chemical bonding suggests that the spin-pairing transition weakens the Fe-O bond in ferropericlase. We find, that the spin transition in ferropericlase is caused by both the increase of the ligand field-splitting energy and the decrease in the spin-pairing energy of high-spin Fe2+.
KW  - high-pressure
KW  - diamond anvil cell
KW  - covalency
KW  - bond strength
KW  - iron
KW  - spin
KW  - transition
Y1  - 2022
U6  - https://doi.org/10.1021/acsearthspacechem.2c00014
SN  - 2472-3452
VL  - 6
IS  - 3
SP  - 788
EP  - 799
PB  - American Chemical Society
CY  - Washington
ER  -