[HTML][HTML] The carbon and oxygen K-edge NEXAFS spectra of CO+

RC Couto, L Kjellsson, H Ågren, V Carravetta… - Physical Chemistry …, 2020 - pubs.rsc.org
We present and analyze high resolution near edge X-ray absorption fine structure (NEXAFS)
spectra of CO+ at the carbon and oxygen K-edges. The spectra show a wealth of features …

[HTML][HTML] Soft X-ray signatures of cationic manganese–oxo systems, including a high-spin manganese (v) complex

MG Delcey, R Lindblad, M Timm, C Bülow… - Physical Chemistry …, 2022 - pubs.rsc.org
Manganese–oxo species catalyze key reactions, including C–H bond activation or dioxygen
formation in natural photosynthesis. To better understand relevant reaction intermediates …

[HTML][HTML] Breaking inversion symmetry by protonation: experimental and theoretical NEXAFS study of the diazynium ion, N 2 H+

RC Couto, W Hua, R Lindblad, L Kjellsson… - Physical Chemistry …, 2021 - pubs.rsc.org
As an example of symmetry breaking in NEXAFS spectra of protonated species we present a
high resolution NEXAFS spectrum of protonated dinitrogen, the diazynium ion N2H+. By ab …

Size-Dependent Ligand Quenching of Ferromagnetism in Co3(benzene) n + Clusters Studied with X-ray Magnetic Circular Dichroism Spectroscopy

ST Akin, V Zamudio-Bayer, K Duanmu… - The journal of …, 2016 - ACS Publications
Cobalt–benzene cluster ions of the form Co3 (bz) n+(n= 0–3) were produced in the gas
phase, mass-selected, and cooled in a cryogenic ion trap held at 3–4 K. To explore ligand …

[HTML][HTML] Mechanism of L2, 3-edge x-ray magnetic circular dichroism intensity from quantum chemical calculations and experiment—A case study on V (IV)/V (III) …

D Maganas, JK Kowalska, C Van Stappen… - The Journal of …, 2020 - pubs.aip.org
In this work, we present a combined experimental and theoretical study on the VL 2, 3-edge
x-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD) spectra of V IV O …

[HTML][HTML] Direct spectroscopic evidence for the high-spin state of dioxidomanganese (V)

OS Ablyasova, V Zamudio-Bayer, M Flach… - Physical Chemistry …, 2024 - pubs.rsc.org
The spin state of metal centers in many catalytic reactions has been demonstrated to be a
rate limiting factor when high-valent metal centers such as manganese are involved …

Electronic ground states of Fe 2+ and Co 2+ as determined by x-ray absorption and x-ray magnetic circular dichroism spectroscopy

V Zamudio-Bayer, K Hirsch, A Langenberg… - The Journal of …, 2015 - pubs.aip.org
The 6 Π electronic ground state of the Co 2+ diatomic molecular cation has been assigned
experimentally by x-ray absorption and x-ray magnetic circular dichroism spectroscopy in a …

Mn12‐Acetate Complexes Studied as Single Molecules

M Tombers, J Meyer, J Meyer, A Lawicki… - … A European Journal, 2022 - Wiley Online Library
The phenomenon of single molecule magnet (SMM) behavior of mixed valent Mn12
coordination clusters of general formula [MnIII8MnIV4O12 (RCOO) 16 (H2O) 4] had been …

Modeling of manganese atom and dimer isolated in solid rare gases: Structure, stability, and effect on spin coupling

NN Kleshchina, KA Korchagina… - The Journal of …, 2017 - ACS Publications
Structures and energies of the trapping sites of manganese atom and dimer in solid Ar, Kr,
and Xe are investigated within the classical model, which balances local distortion and long …

Spin-orbit coupling effect on structural and magnetic properties of ConRh13− n (n= 0–13) clusters

X Bai, J Lv, FQ Zhang, JF Jia, HS Wu - Journal of Magnetism and Magnetic …, 2018 - Elsevier
The effect of spin-orbit interaction on the structures and magnetism of Co n Rh 13− n (n= 0–
13) clusters have been systematically investigated by using the spin-orbit coupling (SOC) …