[UO2(NH3)5]Br2·NH3: synthesis, crystal structure, and speciation in liquid ammonia solution by first-principles molecular dynamics simulations-Reference-Cited by-同舟云学术

[UO2(NH3)5]Br2·NH3: synthesis, crystal structure, and speciation in liquid ammonia solution by first-principles molecular dynamics simulations

Published:2015 Issue:16 Volume:44 Page:7332-7337
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Woidy Patrick¹²³⁴⁵,Bühl Michael⁶⁷⁸⁹¹⁰,Kraus Florian¹¹¹²¹³¹⁴⁵

Affiliation:

1. Technische Universität München

2. Zentrale Techn.-Wiss. Betriebseinheit

3. Radiochemie München

4. 85747 Garching

5. Germany

6. EaStCHEM School of Chemistry

7. North Haugh

8. University of St. Andrews

9. St. Andrews

10. UK

11. Anorganische Chemie

12. Fluorchemie

13. Philipps-Universität Marburg

14. 35032 Marburg

Abstract

X-Ray diffraction and Car–Parrinello molecular dynamics simulations furnish insights into the speciation of uranyl(vi) in liquid ammonia, calling special attention to the effect of solvation on the U–N bond length and bond strength.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/DT/C5DT00180C

Reference49 articles.

1. Pentavalent uranyl complexes

2. Oxo ligand functionalization in the uranyl ion (UO22+)

3. Solution and Solid-State Structural Chemistry of Actinide Hydrates and Their Hydrolysis and Condensation Products

4. Recent Advances in Aqueous Actinide Chemistry and Thermodynamics

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