Issue 41, 2021
From the journal:

Dalton Transactions

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

Cory J. Windorff, ORCID logo *ab   Maria J. Beltran-Leiva, ORCID logo a   Thomas E. Albrecht-Schönzart,a   Zhuanling Bai, ORCID logo a   Cristian Celis-Barros,*a   Conrad A. P. Goodwin, ORCID logo ‡c   Zachary Huffman,a   Noah C. McKinnona  and  Joseph M. Sperlinga  

* Corresponding authors

a Department of Chemistry and Biochemistry, Florida State University, 95 Chieftan Way, RM. 118 DLC, Tallahassee, Florida 32306, USA
E-mail: ccelisbarros@fsu.edu

b Department of Chemistry and Biochemistry, New Mexico State University, MSC 3C, PO Box 3001, Las Cruces, NM 88003, USA
E-mail: windorff@nmsu.edu

c Chemistry Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA

Abstract

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[triple bond, length as m-dash]Oyl interactions relative to the free gas phase (PuO2)2+ ion.

Graphical abstract: Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex

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Article information

DOI
https://doi.org/10.1039/D1DT03041H
Article type
Communication
Submitted
07 Sep 2021
Accepted
01 Oct 2021
First published
01 Oct 2021

Dalton Trans., 2021,50, 14537-14541

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

C. J. Windorff, M. J. Beltran-Leiva, T. E. Albrecht-Schönzart, Z. Bai, C. Celis-Barros, C. A. P. Goodwin, Z. Huffman, N. C. McKinnon and J. M. Sperling, Dalton Trans., 2021, 50, 14537 DOI: 10.1039/D1DT03041H

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