Pair distribution function and71Ga NMR study of aqueous Ga3+complexes

Ida Gjerlevsen Nielsen, Sanna Sommer, Ann Christin Dippel, Jørgen Skibsted, Bo Brummerstedt Iversen*

*Corresponding author for this work

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

Abstract

The atomic structures, and thereby the coordination chemistry, of metal ions in aqueous solution represent a cornerstone of chemistry, since they provide first steps in rationalizing generally observed chemical information. However, accurate structural information about metal ion solution species is often surprisingly scarce. Here, the atomic structures of Ga3+ ion complexes were determined directly in aqueous solutions across a wide range of pH, counter anions and concentrations by X-ray pair distribution function analysis and Ga-71 NMR. At low pH ( 12 tetrahedrally coordinated gallium ions surrounded by ordered solvent are observed. The effects of varying either the concentration or counter anion were minimal. The present study provides the first comprehensive structural exploration of the aqueous chemistry of Ga3+ ions with atomic resolution, which is relevant for both semiconductor fabrication and medical applications.

Original languageEnglish
JournalChemical Science
Volume12
Issue43
Pages (from-to)14420-14431
Number of pages12
ISSN2041-6520
DOIs
Publication statusPublished - 10 Nov 2021

Keywords

  • CRYSTAL-STRUCTURE
  • GALLIUM OXIDE
  • GALLOXANE
  • HYDROLYSIS
  • HYDROXIDE
  • IONS
  • MOLECULAR-ORBITAL CALCULATIONS
  • RAMAN
  • WATER
  • X-RAY-DIFFRACTION

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