TY - JOUR
T1 - Zr4+ solution structures from pair distribution function analysis
AU - Kløve, Magnus
AU - Christensen, Rasmus Stubkjær
AU - Nielsen, Ida Gjerlevsen
AU - Sommer, Sanna
AU - Jørgensen, Mads Ry Vogel
AU - Dippel, Ann-Christin
AU - Iversen, Bo Brummerstedt
PY - 2022/10/15
Y1 - 2022/10/15
N2 - 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
4+ 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
4, ZrOCl
2·8H
2O, ZrO(NO
3)
2·xH
2O). In water, [Zr
4(OH)
8(OH
2)
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.
AB - 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
4+ 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
4, ZrOCl
2·8H
2O, ZrO(NO
3)
2·xH
2O). In water, [Zr
4(OH)
8(OH
2)
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.
UR - http://www.scopus.com/inward/record.url?scp=85141533068&partnerID=8YFLogxK
U2 - 10.1039/D2SC04522B
DO - 10.1039/D2SC04522B
M3 - Journal article
SN - 2041-6520
VL - 13
SP - 12883
EP - 12891
JO - Chemical Science
JF - Chemical Science
IS - 43
ER -