Abstract
The interplay of bond strength and covalency are examined in AnO2Cl2(OPcy3)2(An = Pu, U) complexes. The synthesis oftrans-PuO2Cl2(OPcy3)2,1-Pu, has been carried out and confirmed by single crystal X-ray diffraction along with UV-vis-NIR, and31P NMR spectroscopies. Theoretical analysis finds that despite a higher calculated covalency for the Pu-Cl interaction, the Pu-OPcy3interaction is stronger due to the accumulation of electron density in the interatomic region. The coordination of equatorial ligands slightly decreases the strength of the Pu Oylinteractions relative to the free gas phase (PuO2)2+ion.
| Original language | English |
|---|---|
| Pages (from-to) | 14537-14541 |
| Number of pages | 5 |
| Journal | Dalton Transactions |
| Volume | 50 |
| Issue number | 41 |
| DOIs | |
| State | Published - Nov 7 2021 |
| Externally published | Yes |
Funding
We thank the support of the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Heavy Element Chemistry program under Award Number DE-FG02-13ER16414 (TEAS), Los Alamos National Laboratory - Laboratory Directed Research and Development funding for a J. Robert Oppenheimer Distinguished Postdoctoral Fellowship (CAPG), New Mexico State University Startup Funds (CJW), and the Royal Society for a University Research Fellowship (CAPG). The isotopes used in this research were supplied by the U.S. Department of Energy Isotope Program, managed by the Office of Science for Nuclear Physics. We thank Dr. Bonnie Klamm for assistance with the ozone experiment as well as Mr. Jason Johnson and Ms. Ashley Gray for radiological assistance. We thank the support of the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Heavy Element Chemistry program under Award Number DE-FG02-13ER16414 (TEAS), Los Alamos National Laboratory – Laboratory Directed Research and Development funding for a J. Robert Oppenheimer Distinguished Postdoctoral Fellowship (CAPG), New Mexico State University Startup Funds (CJW), and the Royal Society for a University Research Fellowship (CAPG). The isotopes used in this research were supplied by the U.S. Department of Energy Isotope Program, managed by the Office of Science for Nuclear Physics. We thank Dr. Bonnie Klamm for assistance with the ozone experiment as well as Mr. Jason Johnson and Ms. Ashley Gray for radiological assistance.