Electronic isomerism (electromerism) of 6,8-di-tert-butyl-3H-phenoxazin-3-one oxime radical
A radical stable at room temperature was prepared by the oxidation of a toluene solution of 6,8-di-(tert-butyl)-3H-phenoxazin-3-one oxime with lead oxide PbO2. The DFT/B3LYP/6-311++G**, ab initio MP2/def2-svp, and CASSCF (15,15)/def2svp calculations showed the ground structure of the radical in whic...
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| Médium: | Статья |
| Jazyk: | English |
| Vydáno: |
Springer
2022
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| Témata: | |
| On-line přístup: | https://dspace.ncfu.ru/handle/20.500.12258/19148 |
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