Evaluation of Electrochemical Stability of Substituted Sulfolanes Based on Bond Orders
| Autor: | E. V. Kuz’mina, E. M. Khamitov, Elena Karaseva, Vladimir Kolosnitsyn |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Materials science
Bond strength 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Electrochemistry 01 natural sciences Stability (probability) Bond order 0104 chemical sciences chemistry.chemical_compound chemistry Physical chemistry Sulfolane Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | Russian Journal of Physical Chemistry A. 95:730-735 |
| ISSN: | 1531-863X 0036-0244 |
| Popis: | To assess the effect of substituents on the bond strength in the substituted sulfolanes and their electrochemical stability, a quantum-chemical study of 35 structures has been performed. The studied substances are sulfolane, 4 mono- and 10 difluoro-substituted structures, methyl, ethyl, propyl, vinyl, and allyl-substituted structures. The bond orders for these structures were calculated by three methods, namely Weiberg’s method, Meyer’s method, and a method for determining bond orders for “fuzzy” atoms. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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