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1 to 8 of 8 Results
Synthesis of Iron(IV) Alkynylide Complexes and Their Reactivity to Form 1,3-diynes
Dec 1, 2024
Venturinelli Jannuzzi, Sergio Augusto; Peredkov, Sergey; Demirbas, Derya; DeBeer, Serena, 2024, "Synthesis of Iron(IV) Alkynylide Complexes and Their Reactivity to Form 1,3-diynes", https://doi.org/10.17617/3.QP9QR1, Edmond, V1
Raw data and treated data generated by the MPI CEC published in "Synthesis of Iron(IV) Alkynylide Complexes and Their Reactivity to Form 1,3-diynes", Angew. Chem. Int. Ed. 2024, e202421222 (https://doi.org/10.1002/anie.202421222)
Data for Inserting Three-Coordinate Nickel into [4Fe-4S] Clusters
Oct 3, 2024
Fataftah, Majed; Wilson, Daniel W. N.; Mathe, Zachary; Gerard, Theodore; Mercado, Brandon; DeBeer, Serena; Holland, Patrick, 2024, "Data for Inserting Three-Coordinate Nickel into [4Fe-4S] Clusters", https://doi.org/10.17617/3.FV4QYX, Edmond, V1
Experimental and computational data supporting the publication "Inserting Three-Coordinate Nickel into [4Fe-4S] Clusters", published October 2024 in ACS Central Science: https://doi.org/10.1021/acscentsci.4c00985. Experimental data include Mössbauer, XAS, UVVIS, IR, EPR, NMR, CV, EA, XRC, and SQUID magnetometry measurements. Computational data incl...
Experimentally assessing the electronic structure and spin state energetics in MnFe dimers using 1s3p resonant inelastic X-ray scattering
Sep 16, 2024
G. Castillo, Rebeca; Van Kuiken, Benjamin; Weyhermüller, Thomas; DeBeer, Serena, 2024, "Experimentally assessing the electronic structure and spin state energetics in MnFe dimers using 1s3p resonant inelastic X-ray scattering", https://doi.org/10.17617/3.B8I2LJ, Edmond, V1
Data set per figure.
Probing the local environment in potassium salts and potassium-promoted catalysts by potassium valence-to-core X-ray emission spectroscopy
Aug 20, 2024
Rana, Atanu; Peredkov, Sergey; Behrens, Malte; DeBeer, Serena, 2024, "Probing the local environment in potassium salts and potassium-promoted catalysts by potassium valence-to-core X-ray emission spectroscopy", https://doi.org/10.17617/3.TTWAOX, Edmond, V1
we perform a systematic calibration study on a series of potassium salts in order to establish the information content of Kβ and VtC XES. The sensitivity of the K VtC XES to ligand identity and potassium-ligand distance is established. Our experimental results are correlated to density functional theory (DFT) calculations in order to more quantitat...
Molecular Hybrid Materials for Selective CO2 Electroreduction to Multicarbon Products
Aug 9, 2024
Gil Sepulcre, Marcos, 2024, "Molecular Hybrid Materials for Selective CO2 Electroreduction to Multicarbon Products", https://doi.org/10.17617/3.IIUVR9, Edmond, V1
X-ray absorption spectroscopy: RAW data
Valence-to-Core X-Ray Emission Spectroscopy of Transition Metal Tetrahalides: Mechanisms Governing Intensities
Jul 8, 2024
Römelt, Christina; Peredkov, Sergey; Neese, Frank; Roemelt, Michael; DeBeer, Serena, 2024, "Valence-to-Core X-Ray Emission Spectroscopy of Transition Metal Tetrahalides: Mechanisms Governing Intensities", https://doi.org/10.17617/3.JECRGR, Edmond, V1
This dataset proviedes raw data associated with the corresponding publication. The raw data include the data for reproduction of all figures, xes raw data and input as well as xyz files needed for reproducing the calculations.
Data for Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster
Jun 5, 2024
Wilson, Daniel W. N.; Fataftah, Majed; Mathe, Zachary; Mercado, Brandon; DeBeer, Serena; Holland, Patrick, 2024, "Data for Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster", https://doi.org/10.17617/3.A8DJMK, Edmond, V3
Experimental and computational data supporting the publication "Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster", published February 2024 in J. Am. Chem. Soc.: https://doi.org/10.1021/jacs.3c12157. Experimental data include Mössbauer, XAS, UVVIS, IR, EPR, NMR, and SQUID measurements. Computational data i...
PINK: a tender X-ray beamline for X-ray emission spectroscopy
Feb 26, 2024
Peredkov, Sergey, 2024, "PINK: a tender X-ray beamline for X-ray emission spectroscopy", https://doi.org/10.17617/3.4ZB7ZR, Edmond, V1
Data for the publication. Figures: 2-4, 6,7,10-14
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