Journal article
Synthesis and Computational Analysis of Uranium(III)-Pnictogen Bonds
Journal of the American Chemical Society, Vol.148(3), pp.3681-3688
01/28/2026
DOI: 10.1021/jacs.5c19802
PMID: 41529700
Abstract
In this report, we describe the synthesis and characterization of two novel complexes that contain uranium(III)-pnictogen (P: 1-PMes2; As: 1-AsMes2) bonds to elucidate the degrees of covalency among these bonds. To our knowledge, this is the first reported uranium(III)-arsenic complex to be synthesized and characterized. Analysis of the phosphorus and arsenic bonds reveals a similar electronic environment, assessed by UV–vis NIR, that is comparable to other previously reported uranium(III) complexes. A computational analysis of these compounds and their congeners, N, Sb, and Bi, was performed to identify trends in the overall bonding character of the complexes. This analysis shows that bond covalency decreases as the pnictogen becomes heavier and that overall the interaction energy and its components decrease down the group. This study provides an in-depth analysis and understanding of the nature of bonding between hard actinide and soft pnictogen centers.
Details
- Title: Subtitle
- Synthesis and Computational Analysis of Uranium(III)-Pnictogen Bonds
- Creators
- Lauren M Lopez - Purdue University West LafayetteDiana Perales - Purdue University West LafayetteAllison N Smolek - Purdue University West LafayetteMatthias Zeller - Purdue University West LafayetteBess Vlaisavljevich - University of Iowa, ChemistrySuzanne C Bart - Purdue University West Lafayette
- Resource Type
- Journal article
- Publication Details
- Journal of the American Chemical Society, Vol.148(3), pp.3681-3688
- DOI
- 10.1021/jacs.5c19802
- PMID
- 41529700
- NLM abbreviation
- J Am Chem Soc
- ISSN
- 0002-7863
- eISSN
- 1520-5126
- Publisher
- American Chemical Society
- Grant note
- Chemical Synthesis Program, National Science Foundation: CHE-1665170 National Science Foundation for support through the Graduate Research Fellowship Program (GRFP): DGE-1842166 U.S. Department of Energy, Office of Science, Basic Energy Sciences, in the Heavy Element Chemistry program: DE-SC0025311 University of Iowa
This work was supported by a grant from the Chemical Synthesis Program, National Science Foundation (CHE-1665170, grant to SCB). Diana Perales acknowledges the National Science Foundation for support through the Graduate Research Fellowship Program (GRFP, DGE-1842166). B.V. was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, in the Heavy Element Chemistry program (Grant No. DE-SC0025311). This research was further supported through computational resources provided by the University of Iowa.
- Language
- English
- Electronic publication date
- 01/13/2026
- Date published
- 01/28/2026
- Academic Unit
- Chemistry
- Record Identifier
- 9985115769702771
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