Thiosaccharine disulfide: Synthesis, crystal structure, spectroscopic characterization and theoretical study

Ferullo, Ricardo M.; Granados, Alejandro; Lanterna, Anabel; G�ida, Jorge A.; Piro, Oscar E.; Castellano, Eduardo E.; Dennehy, Mariana

Abstract

The title compound, (thiosaccharine disulfide), bis[1,1′dioxide-2,3-dihidro-1,2-benzoisothiazol]disulfide, (tsac)2 has been synthesized and fully characterized by UV–Visible, IR, Raman, 1H and 13C NMR spectroscopy elemental analysis and structural X-ray crystallography. A DFT theoretical study has been performed and good agreement between experimental and theoretical values of structural parameters and vibration frequencies have been achieved.

Citation

Ferullo, R. M., Granados, A., Lanterna, A., Güida, J. A., Piro, O. E., Castellano, E. E., & Dennehy, M. (2013). Thiosaccharine disulfide: Synthesis, crystal structure, spectroscopic characterization and theoretical study. Journal of Molecular Structure, 1032, 48-55. https://doi.org/10.1016/j.molstruc.2012.07.043

• Journal Article Type: Article
• Acceptance Date: Jul 24, 2012
• Online Publication Date: Aug 6, 2012
• Publication Date: Jan 30, 2013
• Deposit Date: Jun 22, 2020
• Journal: Journal of Molecular Structure
• Print ISSN: 0022-2860
• Electronic ISSN: 0022-2860
• Publisher: Elsevier
• Peer Reviewed: Peer Reviewed
• Volume: 1032
• Pages: 48-55
• DOI: https://doi.org/10.1016/j.molstruc.2012.07.043
• Public URL: https://nottingham-repository.worktribe.com/output/4701726
• Publisher URL: https://www.sciencedirect.com/science/article/abs/pii/S0022286012007089