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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Structural and spectral characterization of a new non-centrosymmetric organic thiosulfate.


PMID 23220662

Abstract

Aqueous reaction of ammonium thiosulfate with ethylenediamine (en) results in the formation of the title compound (enH(2))[S(2)O(3)] (1) (enH(2)=ethylenediammonium) in good yields. Compound 1 was characterized by analytical data, IR, Raman and NMR spectra, X-ray powder pattern and its crystal structure was determined. The structure of 1 which crystallizes in the non-centrosymmetric orthorhombic space group P2(1)2(1)2(1), consists of two crystallographically independent (enH(2))(2+) dications and two unique thiosulfate anions, which are interlinked by three varieties of H-bonding interactions, namely N-H⋯O, N-H⋯S, and C-H⋯O. (1)H and (13)C NMR spectra reveal the purity of 1 while its transparent nature can be evidenced from the UV-Vis-NIR spectral data. In compound 1 which exhibits SHG property, the infrared and Raman spectra confirm the presence of the organic dication and the thiosulfate anion.

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336726
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