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Synthesis, Characterization, and Molecular Modelling of Bis(Aquo)Tris(Dibutyldithiophosphato) Gadolinium (III)

U. Pratomoa, A. Anggraenia, A. Muthaliba, U.M.S. Soedjanaatmadjaa, Yuheldab, I. Pinartia, A.T. Hidayata, H.H. Bahtia, ,
a Department of Chemistry, Faculty of Mathematics and Natural Sciences, Padjadjaran University Jl. Raya Bandung-Sumedang Km 21, Jatinangor 45363, Sumedang, Indonesia
b Centre for Mineral and Coal Technology, Jl. Jenderal Sudirman, Bandung, Indonesia

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Abstract

Characterization of the compound formed in the reaction between the ligand di-n-butyldithiophosphoric acid (DBDTP) and gadolinium(III) ion, and a prediction of the possible molecular structure of the synthesized compound, using molecular modelling have been carried out. Ultraviolet spectra of the resulted compound showed a bathochromic shift from 197.3 to 210.0 nm, due to the formation of Gd-S bonds. Infrared spectra of the compound showed absorptions at 1,494 and 1,394 cm-1, probably due to the in-plane vibration of Gd-S bonds. Mass spectra of the compound showed a peak at an m/z of 919.632, which corresponds to the calculated molecular mass of [Gd(DBDTP)3(H2O)2]. X-ray powder diffraction measurements showed that the compound had a hexagonal shape with the lattice parameters a = 9.97 and c = 9.09 Å. From the experimental results, including those of molecular modelling, it can be drawn a conclusion that the complex molecule consisted of one gadolinium atom, which bound three di-n-butyldithiophosphate and two water ligand molecules.

Keywords: dibutyldithiophosphoric acid; gadolinium; molecular structure; molecular modelling

References

G.H. Sarova, B.G. Jeliazkova. Effect of Solvent and Remote Ligand Substituents on the Photochemical Behavior of Copper(II) Dithiocarbamates and Dithiophosphates. Transit. Met. Chem., 26 (2001), pp. 388–394

I. Toth, E. Brucher, Z. Szabo. Extraction of Gallium(III) and Aluminum (III) with O, O-Dialkyldithiophosphoric acids. Talanta, 37 (12) (1990), pp. 1175–1178

Bahti, H.H. Chromatographic Studies of Metal Dialkyldithiophosphate, Ph.D. Thesis, The University of New South Wales, Australia; 1990.


Peer-review under responsibility of Department of Chemistry, Faculty of Mathematics and Natural Sciences, Padjadjaran University.

 
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