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Molecular structure and vibrational spectra of dithionite ion by ab initio calculations
| Content Provider | Semantic Scholar |
|---|---|
| Author | Leszczynski, Jerzy Zerner, M. C. |
| Copyright Year | 1989 |
| Abstract | Abstract The structure of the dithionite ion, S 2 O 4 2− , is examined using quantum chemical calculations. These studies strongly suggest that only the C 2h (trans) isomer is stable in solution. The C 2v (cis) form reported in Na 2 S 2 O 4 ·2H 2 O is stabilized by crystal forces. The calculated vibrational spectrum of the C 2h form is in excellent agreement with that observed in aqueous solution. Taking into account the negative frequency calculated for the C 2v structure yields a calculated spectrum in good agreement with that observed for the crystal. |
| Starting Page | 143 |
| Ending Page | 147 |
| Page Count | 5 |
| File Format | PDF HTM / HTML |
| DOI | 10.1016/0009-2614(89)87398-1 |
| Volume Number | 159 |
| Alternate Webpage(s) | http://www.mycrandall.ca/FACULTY/MSchriver/research/dt/DTtheoretical/ChemPhysLett1989S2O4calcnZerner.pdf |
| Alternate Webpage(s) | https://doi.org/10.1016/0009-2614%2889%2987398-1 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
