Molecular structure and infrared spectra of the monomeric 3-(methoxy)-1,2-benzisothiazole 1,1-dioxide (methyl pseudosaccharyl ether)
The computational description of saccharin (1,2-benzisothiazol-3(2H)-one-1,1-dioxide) and its derivatives is difficult due to the presence of hypervalent S@O bonds in their structures. Therefore, in this investigation, the HF, DFT/B3LYP and MP2 methods were used to predict the geometry and the infra...
| Main Author: | |
|---|---|
| Other Authors: | , , , |
| Format: | article |
| Language: | eng |
| Published: |
2014
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10400.1/4228 |
| Country: | Portugal |
| Oai: | oai:sapientia.ualg.pt:10400.1/4228 |