Zr4+ solution structures from pair distribution function analysis
(2022) In Chemical Science 4.- Abstract
The structures of metal ions in solution constitute essential information for obtaining chemical insight spanning from catalytic reaction mechanisms to formation of functional nanomaterials. Here, we explore Zr4+ solution structures using X-ray pair distribution function (PDF) analysis across pH (0-14), concentrations (0.1-1.5 M), solvents (water, methanol, ethanol, acetonitrile) and metal sources (ZrCl4, ZrOCl2·8H2O, ZrO(NO3)2·xH2O). In water, [Zr4(OH)8(OH2)16]8+-tetramers are predominant, while non-aqueous solvents contain monomeric complexes. The PDF analysis also reveals second sphere coordination of... (More)
The structures of metal ions in solution constitute essential information for obtaining chemical insight spanning from catalytic reaction mechanisms to formation of functional nanomaterials. Here, we explore Zr4+ solution structures using X-ray pair distribution function (PDF) analysis across pH (0-14), concentrations (0.1-1.5 M), solvents (water, methanol, ethanol, acetonitrile) and metal sources (ZrCl4, ZrOCl2·8H2O, ZrO(NO3)2·xH2O). In water, [Zr4(OH)8(OH2)16]8+-tetramers are predominant, while non-aqueous solvents contain monomeric complexes. The PDF analysis also reveals second sphere coordination of chloride counter ions to the aqueous tetramers. The results are reproducible across data measured at three different beamlines at the PETRA-III and MAX IV synchrotron light sources.
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- author
- Kløve, Magnus ; Christensen, Rasmus Stubkjær ; Nielsen, Ida Gjerlevsen ; Sommer, Sanna ; Jørgensen, Mads Ry Vogel LU ; Dippel, Ann Christin and Iversen, Bo Brummerstedt
- organization
- publishing date
- 2022-10-15
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Chemical Science
- volume
- 4
- publisher
- Royal Society of Chemistry
- external identifiers
-
- pmid:36519061
- scopus:85141533068
- ISSN
- 2041-6520
- DOI
- 10.1039/d2sc04522b
- language
- English
- LU publication?
- yes
- id
- 425c35ad-81be-41fd-ad86-538898ed8acc
- date added to LUP
- 2022-12-23 09:30:29
- date last changed
- 2024-04-16 19:04:32
@article{425c35ad-81be-41fd-ad86-538898ed8acc, abstract = {{<p>The structures of metal ions in solution constitute essential information for obtaining chemical insight spanning from catalytic reaction mechanisms to formation of functional nanomaterials. Here, we explore Zr<sup>4+</sup> solution structures using X-ray pair distribution function (PDF) analysis across pH (0-14), concentrations (0.1-1.5 M), solvents (water, methanol, ethanol, acetonitrile) and metal sources (ZrCl<sub>4</sub>, ZrOCl<sub>2</sub>·8H<sub>2</sub>O, ZrO(NO<sub>3</sub>)<sub>2</sub>·xH<sub>2</sub>O). In water, [Zr<sub>4</sub>(OH)<sub>8</sub>(OH<sub>2</sub>)<sub>16</sub>]<sup>8+</sup>-tetramers are predominant, while non-aqueous solvents contain monomeric complexes. The PDF analysis also reveals second sphere coordination of chloride counter ions to the aqueous tetramers. The results are reproducible across data measured at three different beamlines at the PETRA-III and MAX IV synchrotron light sources.</p>}}, author = {{Kløve, Magnus and Christensen, Rasmus Stubkjær and Nielsen, Ida Gjerlevsen and Sommer, Sanna and Jørgensen, Mads Ry Vogel and Dippel, Ann Christin and Iversen, Bo Brummerstedt}}, issn = {{2041-6520}}, language = {{eng}}, month = {{10}}, publisher = {{Royal Society of Chemistry}}, series = {{Chemical Science}}, title = {{Zr<sup>4+</sup> solution structures from pair distribution function analysis}}, url = {{http://dx.doi.org/10.1039/d2sc04522b}}, doi = {{10.1039/d2sc04522b}}, volume = {{4}}, year = {{2022}}, }