X-Ray Crysatllographic and Vibrational Spectroscopic Studies of Thorium Bromate Hydrate

M Junaid Bushiri,V Ramakrishnan,S Athimoolam,V K Vaidyan,T C Kochuthresia

doi:10.4236/csta.2013.22010

Abstract

Th(BrO3)3·H2O single crystals were grown from its aqueous solution at room temperature. Single crystal XRD, Raman and FTIR techniques were used to investigate the crystal structure. The crystal structure was solved by Patterson method. The as grown crystals are in monoclinic system with space group P21/c. The unit cell parameters are a = 12.8555(18) ?, b = 7.8970(11) ?, c = 9.0716(10)?, α = 90°, β = 131.568° and γ = 90° and unit cell volume is 689.1(2)?3. Z = 8, R factor is 5.9. The Raman and FTIR studies indicate the lowering of symetry of bromate anion from C3V to C1. Hydrogen bonds with varying strengths are present in the crystal. The centrosymmetric space group P21/c of the crystal is confirmed by the non-coincidence of majority of Raman and IR bands.

Highlights

Hydrated bromates, coordinated to rare earth metals are an interesting group of compounds due its magnetic and optical properties [1,2]
The average bond length of water coordinated Th(1)-O1w is of the order of 2.6972(0.0232) Å which is comparable to Th-O distance (2 - 46 Å) reported in thorium nitrate pentahydrate [18]
In the actinide bromate disordered bromate anion is seen which is formed by the bonding of oxygen atoms with bromine and Thorium atoms is shown in the ORTEP diagram (Figure 2)

Summary

Introduction

Hydrated bromates, coordinated to rare earth metals are an interesting group of compounds due its magnetic and optical properties [1,2]. Single crystal XRD and vibrational spectroscopic techniques are being used by different authors for elucidating structure of hydrated metallic bromates [9,10,11,12,13,14,15]. Most of these compounds having hydrogen bonded crystalline structure and oxyhalogen anions in these compounds posses distorted pyramidal structure. Porting structural studies of hydrated rare earth thorium bromate by using X-ray diffraction, Raman and infrared spectroscopy for the first time

Experimental

X-Ray Crystal Structural Studies

Raman and FTIR Spectral Studies

BrO3 1 BrO3 3 BrO3

Conclusion