Engineering topics
Publications and source records attributed to Ditter, Alexander S..
X-ray absorption spectroscopy and variable temperature magnetometry show evidence of 4f-orbital mixing in Cp′ 3 Eu, which increases its magnetic susceptibility.
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 .
Abstract A number of technologies would benefit from developing inorganic compounds and materials with specific electronic and magnetic exchange properties. Unfortunately, designing compounds with these properties is difficult because metal⋅⋅⋅metal coupling schemes are hard to predict and control. Fully characterizing communication between metals in existing compounds that exhibit interesting properties could provide valuable insight and advance those predictive capabilities. One such class of molecules are the series of Lindqvist iron‐functionalized and hexavanadium polyoxovanadate‐alkoxide clusters, which we characterized here using V K‐edge X‐ray absorption spectroscopy. Substantial changes in the pre‐edge peak intensities were observed that tracked with the V 3 d ‐electron count. The data also suggested substantial delocalization between the vanadium cations. Meanwhile, the Fe III cations were electronically isolated from the polyoxovanadate core.