Assessing covalency in equatorial U–N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranyl-Reference-Cited by-同舟云学术

Assessing covalency in equatorial U–N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranyl

Published:2016 Issue:25 Volume:18 Page:16830-16839
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Di Pietro Poppy¹²³⁴,Kerridge Andrew¹⁵⁶⁴^ORCID

Affiliation:

1. Department of Chemistry

2. University College London

3. London

4. UK

5. Lancaster University

6. Lancaster

Abstract

N-donor complexes of uranyl have been investigated with density-based analytical methods in order to quantify equatorial bond covalency and its effect on axial U–O_yl bonding.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP01273F

Reference70 articles.

1. Lanthanide and Actinide Contractions: Relativistic and Shell Structure Effects

2. M. Dolg , in Encyclopedia of Computational Chemistry, ed. H. F. Schaefer, Wiley, Chichester, 2002

3. Coordination Chemistry with f-Element Complexes for an Improved Understanding of Factors That Contribute to Extraction Selectivity

4. f-Element-metal bond chemistry

5. N. Kaltsoyannis and P.Scott, The f elements, Oxford University Press, Oxford, 1999

Cited by 24 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The role of covalency in enhancing stability of Eu and Am complexes: a DFT comparison of BTP and BTPhen;Physical Chemistry Chemical Physics;2023

2. First-principles study on ultrafast Li-ion diffusion in halospinel Li₂Sc_2/3Cl₄ through multichannels designed by aliovalent doping;Journal of Materials Chemistry A;2023

3. Outstanding stability of Gd-doped UO2 against surface oxidation: First-principles study;Applied Surface Science;2022-07

4. Stable Chelation of the Uranyl Ion by Acyclic Hexadentate Ligands: Potential Applications for ²³⁰U Targeted α-Therapy;Inorganic Chemistry;2022-02-09

5. Porphyrinoid actinide complexes;Chemical Society Reviews;2022