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Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex.

Cory J WindorffMaria J Beltrán-LeivaThomas E Albrecht-SchönzartZhuanling BaiCristian Celis-BarrosConrad A P GoodwinZachary HuffmanNoah C McKinnonJoseph M Sperling
Published in: Dalton transactions (Cambridge, England : 2003) (2021)
The interplay of bond strength and covalency are examined in AnO2Cl2(OPcy3)2 (An = Pu, U) complexes. The synthesis of trans-PuO2Cl2(OPcy3)2, 1-Pu, has been carried out and confirmed by single crystal X-ray diffraction along with UV-vis-NIR, and 31P NMR spectroscopies. Theoretical analysis finds that despite a higher calculated covalency for the Pu-Cl interaction, the Pu-OPcy3 interaction 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Oyl interactions relative to the free gas phase (PuO2)2+ ion.
Keyphrases
  • high resolution
  • magnetic resonance
  • magnetic resonance imaging
  • computed tomography
  • fluorescent probe
  • data analysis
  • aqueous solution