Similar ligand–metal bonding for transition metals and actinides? 5f1 U(C7H7)2−versus 3dn metallocenes
Author:
Affiliation:
1. Department of Chemistry
2. University at Buffalo
3. State University of New York
4. Buffalo
5. USA
Abstract
A computational analysis of the electronic structure, bonding and magnetic properties in the 5f1 U(C7H7)2− complex vs. 3d metallocenes is performed. Notably, it is shown that the proton hyperfine coupling constant in U(C7H7)2− is the same in sign and magnitude to that of the 3d7 cobaltocene, but the two systems do not share a similar covalent metal–ligand bonding.
Funder
Basic Energy Sciences
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2018/SC/C7SC05373H
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