Structure of zirconium butoxide complexes in n-butanol solutions

Abstract

EXAFS and SAXS were used for structure elucidation of zirconium butoxide complexes in n-butanol at concentrations from 0.3 g to 0.015 g ZrO2 in 1 ml. The basic structural unit of the complex is a tetramer. It has two equal sides with zirconium atoms linked by double oxygen bridges and with zirconium-zirconium distances of 3.5 A. The other sides in the tetramer are 3.3 A and 3.9 A. This difference in bond lengths is explained by the different numbers of double or single ligand bridges between zirconium atoms. The tetramers are apt to undergo oligomerization to form particles with a diameter of 80 A in solution.