Relativistic Quantum Chemical Investigation of Actinide Covalency Measured by Electron Paramagnetic Resonance Spectroscopy
Author:
Affiliation:
1. Department of Chemistry, The University of Manchester Oxford Road, Manchester M13 9PL, U.K.
2. Research School of Chemistry, The Australian National University, Sullivans Creek Road, Canberra, Acton 2601, Australia
Funder
Royal Society
Natural Sciences and Engineering Research Council of Canada
Ministry of Defence, UK
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/jacs.4c01930
Reference59 articles.
1. Lanthanide(III)/Actinide(III) Differentiation in Mixed Cyclopentadienyl/Dithiolene Compounds from X-ray Diffraction and Density Functional Theory Analysis
2. Evidence for the Involvement of 5f Orbitals in the Bonding and Reactivity of Organometallic Actinide Compounds: Thorium(IV) and Uranium(IV) Bis(hydrazonato) Complexes
3. Bonding Trends Traversing the Tetravalent Actinide Series: Synthesis, Structural, and Computational Analysis of AnIV(Aracnac)4 Complexes (An = Th, U, Np, Pu; Aracnac = ArNC(Ph)CHC(Ph)O; Ar = 3,5-tBu2C6H3)
4. On the Origin of Covalent Bonding in Heavy Actinides
5. The roles of 4f- and 5f-orbitals in bonding: a magnetochemical, crystal field, density functional theory, and multi-reference wavefunction study
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