Zr Solution Structures from Pair Distribution Function Analysis

Overview

Journal Chem Sci

Publisher Royal Society of Chemistry

Specialty Chemistry

Date 2022 Dec 15

PMID 36519061

Authors

Magnus Klove

Rasmus Stubkjaer Christensen

Ida Gjerlevsen Nielsen

Sanna Sommer

Mads Ry Vogel Jorgensen

Ann-Christin Dippel

Bo Brummerstedt Iversen

Affiliations

Soon will be listed here.

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 Zr 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, ZrOCl·8HO, ZrO(NO)·HO). In water, [Zr(OH)(OH)]-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.

Citing Articles

From Gel to Crystal: Mechanism of HfO and ZrO Nanocrystal Synthesis in Benzyl Alcohol.

Goossens E, Aalling-Frederiksen O, Tack P, Van den Eynden D, Walsh-Korb Z, Jensen K J Am Chem Soc. 2024; 146(15):10723-10734.

PMID: 38588404 PMC: 11027147. DOI: 10.1021/jacs.4c00678.

A reactor for time-resolved X-ray studies of nucleation and growth during solvothermal synthesis.

Roelsgaard M, Klove M, Christensen R, Bertelsen A, Broge N, Kantor I J Appl Crystallogr. 2023; 56(Pt 3):581-588.

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