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In Situ Infrared Spectroscopic Analysis of the Water Modes of [Zr4(OH)8(H2O)16]8+ During the Thermal Dehydration of ZrOCl2.8H2O

In Situ Infrared Spectroscopic Analysis of the Water Modes of [Zr4(OH)8(H2O)16]8+ During the Thermal Dehydration of ZrOCl2.8H2O

Jan Scholz, Kerstin Scholz, A James McQuillan

J Phys Chem A. 2010 Jul 29;114(29):7733-41.

PMID: 20597535

Abstract:

An in situ infrared spectroscopic analysis of the thermal dehydration of zirconyl chloride octahydrate was carried out to identify bending mode vibrations of distinctive water molecules in this well-defined zirconium(IV) cluster cation. TG-MS analysis revealed the particular temperatures where one water molecule at a time was removed from the solid hydrate. In situ IR data unveiled remarkable spectral changes featuring isosbestic behavior. We were able to experimentally distinguish between delta(H(2)O) modes from coordinatively bound water molecules (Zr-(OH(2))(3), 1595 cm(-1)), tetrahedrally coordinated lattice water (H(2)O dimer, 1620 cm(-1)), as well as strongly H-bonded lattice waters accommodating hydrated protons (1705 and 1666 cm(-1)). Spectral changes in the range from 1050 and 900 cm(-1) during dehydration are discussed.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP15461275	Zirconyl chloride hydrate		15461-27-5	Price

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