APPELL | Kompetenzen für Sicherheit und Fortschritt | Strahlenschutz – Reaktorsicherheit – Entsorgung

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Vacancy ID 12567

At the Faculty of Chemistry and Food Chemistry, the Chair of Theoretical Chemistry offers, subject to the availability of resources, a position as

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Persistent Mono‐Oxo Bonding with Protactinium(V) Revealed in Highly Acidic Chloride Solutions

Protactinium(V) defies expectations. Its elusive mono-oxo bond was revealed through a combination of extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) ...

onlinelibrary.wiley.com

Postdoctoral Requisition Details - Jobs@UIOWA: Search and Apply for Jobs at The University of IowaUniversity of IowaUniversity of Iowa

Jobs@UIOWA: The official place to search and apply for jobs at The University of Iowa.

jobs.uiowa.edu

Microsoft hiring Senior Researcher in Quantum Chemistry in Amsterdam, North Holland, Netherlands | LinkedIn

Posted 12:03:35 AM. Microsoft Research AI for Science is looking for talented researchers to conduct cutting edge…See this and similar jobs on LinkedIn.

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Defining the Electronic Structures of (Hetero)Metallocene Anions – He-MAn at The University of Manchester on FindAPhD.com

PhD Project - Defining the Electronic Structures of (Hetero)Metallocene Anions – He-MAn at The University of Manchester, listed on FindAPhD.com

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An opportunity to define important trends in actinide covalency and relativistic expansion at The University of Manchester on FindAPhD.com

PhD Project - An opportunity to define important trends in actinide covalency and relativistic expansion at The University of Manchester, listed on FindAPhD.com

findaphd.com

Insights Into the Uranium Phosphine Bonds in [UCp3(PR3)]: A Combined Molecular Orbital, QTAIM and EDA‐NOCV Study

A series of ten uranium(III) complexes with cyclopentadienyl and monodentate phosphine ligands [UCp3(PR3)] with R = Me, Et, nPr, iPr, tBu, Ph, Cy, F and CF3 was investigated using density functional ...

chemistry-europe.onlinelibrary.wiley.com

CV – Sabba’s NMR Blog

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Structure, Covalency, and Paramagnetism of Homoleptic Actinide and Lanthanide Amidinate Complexes

Isostructural trivalent lanthanide and actinide amidinates bearing the N,N’-bis(isopropyl)benzamidinate (iPr2BA) ligand [LnIII/AnIII(iPr2BA)3] (Ln = La, Nd, Sm, Eu, Yb, Lu; An = U, Np) have been synthesized and characterized in both solid and solution states. All compounds were examined in the solid state utilizing single crystal X-ray diffraction (SC-XRD), revealing a notable deviation in the actinide series with shortened bond lengths compared to the trend in the lanthanide series, suggesting a nonionic contribution to the actinide–ligand bonding. Quantum-chemical bonding analysis further elucidated the nature of these interactions, highlighting increased covalency within the actinide series, as evidenced by higher delocalization indices and greater 5f orbital occupation, except for Th(III) and Pa(III), which demonstrated substantial 6d orbital occupancies. An in-depth paramagnetic NMR study in solution also sheds light on the covalent character of actinide–ligand bonding, with the separation of pseudocontact (PCS) and contact shift (FCS) contributions employing the Bleaney and Reilley method. This analysis unveiled significant contact contributions in the actinide complexes, indicating enhanced covalency in actinide–ligand bonding. To corroborate these observations, an accurate PCS calculation method based on the Kuprov equation, incorporating both the distribution of electronic spin density and magnetic susceptibility obtained from CASSCF calculations, was applied and compared with experimental values.

pubs.acs.org

Comparative Analysis of Tetravalent Actinide Schiff Base Complexes: Influence of Donor and Ligand Backbone on Molecular Geometry and Metal Binding

Novel tetravalent actinide (AnIV) compounds with the Schiff base ligand pyrophen, including the transuranium elements Np and Pu, are characterized in solid state and solution, as well as by quantum c...

chemistry-europe.onlinelibrary.wiley.com

Postdoctoral researcher post in the Bioinspired Inorganic Chemistry

Applications are invited for a postdoctoral researcher post in the Bioinspired Inorganic Chemistry group led by Dr. Aidan McDonald based in the School of Chemistry at Trinity College Dublin, the Unive...

euraxess.ec.europa.eu