Abstract
Salts containing the monoprotonated ethylene carbonate species of were obtained by reacting it with the superacidic systems XF/MF5 (X=H, D;M=Sb, As). The salts in terms of [C3H5O3](+)[SbF6](-), [C3H5O3](+)[AsF6](-) and [C3H4DO3](+)[AsF6](-) were characterized by low-temperature infrared and Raman spectroscopy. In order to generate the diprotonated species of ethylene carbonate, an excess of Lewis acid was used. However, this only led to the formation of [C3H5O3](+)[Sb2F11](-), which was characterized by a single-crystal X-ray structure analysis. Quantum chemical calculations on the B3LYP/aug-cc-PVTZ level of theory were carried out for the [C3H5O3](+) cation and the results were compared with the experimental data. A Natural Bond Orbital (NBO) analysis revealed sp(2) hybridization of each atom belonging to the CO3 moiety, thus containing a remarkably delocalized 6 pi-electron system. The delocalization is confirmed by a C-13 NMR-spectroscopic study of [C3H5O3](+)[SbF6](-).
| Item Type: | Journal article |
|---|---|
| Faculties: | Chemistry and Pharmacy |
| Subjects: | 500 Science > 540 Chemistry |
| ISSN: | 2191-1363 |
| Language: | English |
| Item ID: | 96877 |
| Date Deposited: | 05. Jun 2023, 15:24 |
| Last Modified: | 05. Jun 2023, 15:24 |
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