The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF 6 2– and CeCl 6 2–
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Engineering topics
Publications and source records attributed to Branson, Jacob A..
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Correction for ‘Thorium amidates function as single-source molecular precursors for thorium dioxide’ by Mark D. Straub et al. , Chem. Commun. , 2021, 57 , 4954–4957, https://doi.org/10.1039/D1CC00867F.
The authors regret that two references to the multi-configurational pair-density functional theory methods used in the wavefunction calculations did not appear in the main article. The references were originally included in the Methods section of the Electronic Supplementary Information as ref. 17a and b, but should also have appeared in the second paragraph on page 9564. The references are listed below as ref. 1 and 2. The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.
5f covalency in [U(C 7 H 7 ) 2 ] − was probed with carbon K-edge X-ray absorption spectroscopy (XAS) and electronic structure theory. The results are compared with earlier studies which show that the extent of δ-orbital mixing in [U(C 7 H 7 ) 2 ] 1− is larger than reported previously for U(C 8 H 8 ) 2 .
Here, we report the synthesis of four homoleptic thorium(IV) amidate complexes as single-source molecular precursors for thorium dioxide. Each can be sublimed at atmospheric pressure, with the substituents on the amidate ligands significantly impacting their volatility and thermal stability. These complexes decompose via alkene elimination to give ThO 2 without need for a secondary oxygen source. ThO 2 samples formed from pyrolysis of C-alkyl amidates were found to have higher purity and crystallinity than ThO 2 samples formed from C-aryl amidates.