scholarly journals High-Throughput Small-Molecule Crystallography at the ‘Belok’ Beamline of the Kurchatov Synchrotron Radiation Source: Transition Metal Complexes with Azomethine Ligands as a Case Study

Crystals ◽  
2017 ◽  
Vol 7 (11) ◽  
pp. 325 ◽  
Author(s):  
Vladimir Lazarenko ◽  
Pavel Dorovatovskii ◽  
Yan Zubavichus ◽  
Anatolii Burlov ◽  
Yurii Koshchienko ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Small Molecule ◽  
High Throughput ◽  
Radiation Source ◽  
Synchrotron Radiation Source

scholarly journals Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies

2018 ◽  
Vol 9 (33) ◽  
pp. 6813-6829 ◽  
Author(s):  
Markus Kubin ◽  
Meiyuan Guo ◽  
Thomas Kroll ◽  
Heike Löchel ◽  
Erik Källman ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Oxidation State ◽  
Transition Metal Complexes ◽  
Theoretical Approach ◽  
X Ray ◽  
Local Charge ◽  
X Ray Absorption ◽  
Spin Densities

A combined experimental and theoretical approach reveals correlations of metal L-edge X-ray absorption energies to local charge and spin densities.

Configuration Determination of Transition Metal Complexes by Multiple Scattering EXAFS Analysis: A Case Study

2014 ◽  
Vol 228 (10-12) ◽  
Author(s):  
Matthias Bauer
Keyword(s):  
Fine Structure ◽  
Transition Metal ◽  
Metal Complexes ◽  
Multiple Scattering ◽  
Transition Metal Complexes ◽  
X Ray ◽  
Exafs Analysis ◽  
X Ray Absorption

AbstractA multiple scattering extended X-ray absorption fine structure (EXAFS) analysis of Ti(acac)

scholarly journals Low-coordinate first-row transition metal complexes in catalysis and small molecule activation

2019 ◽  
Vol 48 (33) ◽  
pp. 12365-12381 ◽  
Author(s):  
Laurence J. Taylor ◽  
Deborah L. Kays
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Small Molecules ◽  
Transition Metal Complexes ◽  
Small Molecule ◽  
High Reactivity ◽  
Small Molecule Activation ◽  
Coordination Numbers

In this Perspective, we will highlight selected examples of transition metal complexes with low coordination numbers whose high reactivity has been exploited in catalysis and the activation of small molecules featuring strong bonds (N2, CO2, and CO).

scholarly journals X-ray-induced sample damage at the Mn L-edge: a case study for soft X-ray spectroscopy of transition metal complexes in solution

2018 ◽  
Vol 20 (24) ◽  
pp. 16817-16827 ◽  
Author(s):  
Markus Kubin ◽  
Jan Kern ◽  
Meiyuan Guo ◽  
Erik Källman ◽  
Rolf Mitzner ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Absorption Spectroscopy ◽  
X Rays ◽  
X Ray ◽  
X Ray Absorption ◽  
Sample Damage ◽  
Dose Dependent

Dose-dependent damage to a Mniii complex in solution, induced by soft X-rays, is investigated with Mn L-edge X-ray absorption spectroscopy.

scholarly journals Accurate and rapid prediction of pKa of transition metal complexes: semiempirical quantum chemistry with a data-augmented approach

2021 ◽  
Author(s):  
Vivek Sinha ◽  
Jochem J. Laan ◽  
Evgeny A. Pidko
Keyword(s):  
Transition Metal ◽  
Quantum Chemistry ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
High Throughput ◽  
Metal Hydride ◽  
Low Cost ◽  
Hydride Complexes ◽  
Rapid Prediction ◽  
Transition Metal Hydride

Data-augmented high-throughput QM approach to compute pKa of transition metal hydride complexes with hDFT accuracy and low cost.

Sign in / Sign up

Export Citation Format

Share Document