title: Structural and spectral characterization of a new non-centrosymmetric organic thiosulfate.
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.
authors.affiliation: Department of Chemistry, Goa University, Goa 403 206, India. srini@unigoa.ac.in
authors.forename: Bikshandarkoil R
authors.initials: BR
authors.lastname: Srinivasan
authors.forename: Savita S
authors.initials: SS
authors.lastname: Khandolkar
authors.forename: Rita N
authors.initials: RN
authors.lastname: Jyai
authors.forename: Krishnan
authors.initials: K
authors.lastname: Ravikumar
authors.forename: Balasubramanian
authors.initials: B
authors.lastname: Sridhar
authors.forename: Subramanian
authors.initials: S
authors.lastname: Natarajan
mesh_terms: D003460:Crystallization; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D000644:Quaternary Ammonium Compounds / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013056:Spectrophotometry, Ultraviolet; D013059:Spectrum Analysis, Raman; D013885:Thiosulfates / Q000737:chemistry*
chemical_list: D000644:Quaternary Ammonium Compounds; D013885:Thiosulfates; C528651:ethylenediammonium sulfate; C035309:ammonium thiosulfate