Literature DB >> 22893476

Hydration of lanthanoids(III) and actinoids(III): an experimental/theoretical saga.

Paola D'Angelo1, Riccardo Spezia.   

Abstract

The latest experimental and theoretical studies on structural and dynamical properties of lanthanoid(III) and actinoid(III) ions in water have been reviewed. In the last years, most of the issues about lanthanoid(III) hydration have been resolved combining X-ray absorption experiments and different theoretical methods. Since 2008 an effort has been made to treat the entire series thus obtaining coherent sets of experimental and theoretical results that were lately put together in such a way that it was possible to derive new basic properties, such as effective ionic radii, across the series. While for the hydration of lanthanoids(III) many experiments and simulations have been reported, the hydration of actinoids(III) was less investigated. There are some experiments performed by different research groups and few simulations that we discuss in this review. Currently, there are enough results that it is possible to gain some understanding of the hydration behavior of lanthanoids(III) and actinoids(III). The ultimate goal of this review is to provide clues on the analogies and differences between the two series. These aspects are connected to several issues: 1) technological: the separation of these elements that is necessary for recycling and stocking of nuclear waste, 2) practical: because experiments on actinoids need particular care, the definition of possible analogies will give the possibility to use the correct lanthanoid when the information on a specific actinoid is needed, 3) fundamental: related to chemical similarities between the two series.
Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entities:  

Year:  2012        PMID: 22893476     DOI: 10.1002/chem.201200572

Source DB:  PubMed          Journal:  Chemistry        ISSN: 0947-6539            Impact factor:   5.236


  6 in total

Review 1.  Metal Ion Modeling Using Classical Mechanics.

Authors:  Pengfei Li; Kenneth M Merz
Journal:  Chem Rev       Date:  2017-01-03       Impact factor: 60.622

2.  K-edge XANES investigation of octakis(DMSO)lanthanoid(III) complexes in DMSO solution and solid iodides.

Authors:  Paola D'Angelo; Valentina Migliorati; Riccardo Spezia; Simone De Panfilis; Ingmar Persson; Andrea Zitolo
Journal:  Phys Chem Chem Phys       Date:  2013-05-09       Impact factor: 3.676

3.  Developing polarizable potential for molecular dynamics of Cm(III)-carbonate complexes in liquid water.

Authors:  Riccardo Spezia; Yannick Jeanvoine; Rodolphe Vuilleumier
Journal:  J Mol Model       Date:  2014-08-03       Impact factor: 1.810

4.  Hydration Gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics.

Authors:  Aude Marjolin; Christophe Gourlaouen; Carine Clavaguéra; Pengyu Y Ren; Jean-Philip Piquemal; Jean-Pierre Dognon
Journal:  J Mol Model       Date:  2014-10-09       Impact factor: 1.810

5.  Ion Association in Lanthanide Chloride Solutions.

Authors:  Aaron R Finney; Sébastien Lectez; Colin L Freeman; John H Harding; Stephen Stackhouse
Journal:  Chemistry       Date:  2019-05-30       Impact factor: 5.236

6.  Combining the Fluctuating Charge Method, Non-Periodic Boundary Conditions and Meta-Dynamics: Aqua Ions as case studies.

Authors:  Giordano Mancini; Giuseppe Brancato; Vincenzo Barone
Journal:  J Chem Theory Comput       Date:  2014-03-11       Impact factor: 6.006

  6 in total

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