Redox and structural properties of accessible actinide(ii) metallocalixarenes (Ac to Pu): a relativistic DFT study
Author:
Affiliation:
1. Key Laboratory of Functional Inorganic Material Chemistry of Education Ministry
2. School of Chemistry and Materials Science
3. Heilongjiang University
4. Harbin 150080
5. China
Abstract
DFT study reveals the trend of reduction potential of [AnL2]+/[AnL2] (An = Ac ∼ Pu), comparable to previously reported ones of AnIII/AnII and corroborated by calculations of relevant complexes and structural/bonding properties of [AnL2]+/0.
Funder
National Natural Science Foundation of China
Natural Science Foundation of Heilongjiang Province
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA05365A
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