Elucidating cation–cation interactions in neptunyl dications using multi-reference ab initio theory-Reference-Cited by-同舟云学术

Elucidating cation–cation interactions in neptunyl dications using multi-reference ab initio theory

Published:2019 Issue:2 Volume:21 Page:744-759
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Łachmańska Aleksandra¹²³⁴⁵^ORCID,Tecmer Paweł¹²³⁴⁵^ORCID,Legeza Örs⁶⁷⁸⁹,Boguslawski Katharina¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Physics

2. Faculty of Physics

3. Astronomy and Informatics

4. Nicolaus Copernicus University in Toruń

5. 87-100 Toruń

6. Strongly Correlated Systems “Lendület” Research Group

7. Wigner Research Center for Physics

8. H-1525 Budapest

9. Hungary

Abstract

Understanding the binding mechanism in neptunyl clusters formed due to cation–cation interactions is of crucial importance in nuclear waste reprocessing and related areas of research.

Funder

H2020 Marie Skłodowska-Curie Actions

Narodowe Centrum Nauki

Ministerstwo Nauki i Szkolnictwa Wyższego

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP04267E

Reference141 articles.

1. Hexaphyrin(1.0.1.0.0.0): An Expanded Porphyrin Ligand for the Actinide Cations Uranyl (UO22+) and Neptunyl (NpO2+)

2. Optical Absorption and Structure of a Highly Symmetrical Neptunium(V) Diamide Complex

3. Symmetry and optical spectra: a “silent” 1 : 2 Np(v)–oxydiacetate complex

4. Neptunium(V) disproportionation and cation–cation interactions in TBP/kerosene solvent

5. EXAFS Studies of Pentavalent Neptunium Carbonato Complexes. Structural Elucidation of the Principal Constituents of Neptunium in Groundwater Environments

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