High-valent actinyl (AnO<sub>2</sub>; An = U, Np and Pu) complexation with TEtraQuinoline (TEQ) ligand

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High-valent actinyl (AnO₂; An = U, Np and Pu) complexation with TEtraQuinoline (TEQ) ligand – a DFT study

Published:2024 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jennifer G Abigail¹^ORCID,Varathan Elumalai¹^ORCID

Affiliation:

1. Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur 603 203, Tamil Nadu, India

Abstract

The properties and trends of actinyl (AnO2n+; An = U - Pu, n = 1–3) binding with TEQ ligand.

Funder

Science and Engineering Research Board

Department of Science and Technology, Ministry of Science and Technology, India

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP01539H

Reference57 articles.

1. Trends in the Electronic Structure and Chemical Bonding of a Series of Porphyrinoid–Uranyl Complexes

2. Actinyls in Expanded Porphyrin: A Relativistic Density-Functional Study

3. Computational Study of Actinyl Ion Complexation with Dipyriamethyrin Macrocyclic Ligands

4. Characterization of the binding of six actinyls AnO22+/+(An = U/Np/Pu) with three expanded porphyrins by density functional theory

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