Elucidating metal (Zr, Hf, Th, U)-hydride covalency using 1H NMR chemical shifts and density functional calculations
H NMR chemical shifts of each complex, including the paramagnetic U(IV) compound, showed reasonable agreement with the computed shifts and benchmark the covalency of the metal-hydride bonds.
Authors
- Justin R. Walensky (ORCID: https://orcid.org/0000-0003-0221-2675)
- M. Gayanethra Kaumini
- Jochen Autschbach (ORCID: https://orcid.org/0000-0001-9392-877X)
- Xiaojuan Yu (ORCID: https://orcid.org/0000-0003-4061-3971)
- Steven P. Kelley
Institutions
- Buffalo State University (US)
- University at Buffalo, State University of New York (US)
- University of Missouri (US)
Publication Details
- Journal
- Communications Chemistry
- Published
- 2026-04-15
- DOI
- https://doi.org/10.1038/s42004-026-02021-7
- Primary Topic
- Organometallic Complex Synthesis and Catalysis
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- U.S. Department of Energy
- University at Buffalo
- Basic Energy Sciences