Dynamics of hindered CF3-rotor in 2,5-bis (trifl uoromethyl )-nitroben zene radical -anion in anhydro us DMF. A temperature - activation theory of reversible HFS transformations of EPR spectrum
The temperature dependence of EPR spectrum of 2,5-bis(trifluoromethyl)nitrobenzene radical anion in anhydrous DMF was investigated. Internal dynamics of hindered rotation of the CF3-group in ortho-position to NO2-group causes HFS modulation. The spectrum changes are reversible and temperature-depend...
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MIREA - Russian Technological University
2016-06-01
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| Series: | Тонкие химические технологии |
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| Online Access: | https://www.finechem-mirea.ru/jour/article/view/27 |
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| author | E. A. Polenov P. V. Melnikov |
| author_facet | E. A. Polenov P. V. Melnikov |
| author_sort | E. A. Polenov |
| collection | DOAJ |
| description | The temperature dependence of EPR spectrum of 2,5-bis(trifluoromethyl)nitrobenzene radical anion in anhydrous DMF was investigated. Internal dynamics of hindered rotation of the CF3-group in ortho-position to NO2-group causes HFS modulation. The spectrum changes are reversible and temperature-dependent. An original temperature-activation representation of complex spectral density was proposed instead of the traditional spectral-kinetics representation to explain the observed transformation. The change resulted in a new convenient phenomenological reconstruction model, which allowed simulating the spectra in the whole temperature range. Splitting constants and contributions to the spectral widths of the spectral lines were found. The activation energy of the CF3-group hindered rotation is significant and amounts to 37 kJ/mol. |
| format | Article |
| id | doaj-art-b6a8b4f5bad841e0b0550f0957df979e |
| institution | Kabale University |
| issn | 2410-6593 2686-7575 |
| language | Russian |
| publishDate | 2016-06-01 |
| publisher | MIREA - Russian Technological University |
| record_format | Article |
| series | Тонкие химические технологии |
| spelling | doaj-art-b6a8b4f5bad841e0b0550f0957df979e2025-08-20T03:56:23ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752016-06-01113313810.32362/2410-6593-2016-11-3-31-3827Dynamics of hindered CF3-rotor in 2,5-bis (trifl uoromethyl )-nitroben zene radical -anion in anhydro us DMF. A temperature - activation theory of reversible HFS transformations of EPR spectrumE. A. Polenov0P. V. Melnikov1Moscow Technological University (Institute of Fine Chemical Technologies)Moscow Technological University (Institute of Fine Chemical Technologies)The temperature dependence of EPR spectrum of 2,5-bis(trifluoromethyl)nitrobenzene radical anion in anhydrous DMF was investigated. Internal dynamics of hindered rotation of the CF3-group in ortho-position to NO2-group causes HFS modulation. The spectrum changes are reversible and temperature-dependent. An original temperature-activation representation of complex spectral density was proposed instead of the traditional spectral-kinetics representation to explain the observed transformation. The change resulted in a new convenient phenomenological reconstruction model, which allowed simulating the spectra in the whole temperature range. Splitting constants and contributions to the spectral widths of the spectral lines were found. The activation energy of the CF3-group hindered rotation is significant and amounts to 37 kJ/mol.https://www.finechem-mirea.ru/jour/article/view/27radical-anionspectra simulationdynamic modulationspectral density |
| spellingShingle | E. A. Polenov P. V. Melnikov Dynamics of hindered CF3-rotor in 2,5-bis (trifl uoromethyl )-nitroben zene radical -anion in anhydro us DMF. A temperature - activation theory of reversible HFS transformations of EPR spectrum Тонкие химические технологии radical-anion spectra simulation dynamic modulation spectral density |
| title | Dynamics of hindered CF3-rotor in 2,5-bis (trifl uoromethyl )-nitroben zene radical -anion in anhydro us DMF. A temperature - activation theory of reversible HFS transformations of EPR spectrum |
| title_full | Dynamics of hindered CF3-rotor in 2,5-bis (trifl uoromethyl )-nitroben zene radical -anion in anhydro us DMF. A temperature - activation theory of reversible HFS transformations of EPR spectrum |
| title_fullStr | Dynamics of hindered CF3-rotor in 2,5-bis (trifl uoromethyl )-nitroben zene radical -anion in anhydro us DMF. A temperature - activation theory of reversible HFS transformations of EPR spectrum |
| title_full_unstemmed | Dynamics of hindered CF3-rotor in 2,5-bis (trifl uoromethyl )-nitroben zene radical -anion in anhydro us DMF. A temperature - activation theory of reversible HFS transformations of EPR spectrum |
| title_short | Dynamics of hindered CF3-rotor in 2,5-bis (trifl uoromethyl )-nitroben zene radical -anion in anhydro us DMF. A temperature - activation theory of reversible HFS transformations of EPR spectrum |
| title_sort | dynamics of hindered cf3 rotor in 2 5 bis trifl uoromethyl nitroben zene radical anion in anhydro us dmf a temperature activation theory of reversible hfs transformations of epr spectrum |
| topic | radical-anion spectra simulation dynamic modulation spectral density |
| url | https://www.finechem-mirea.ru/jour/article/view/27 |
| work_keys_str_mv | AT eapolenov dynamicsofhinderedcf3rotorin25bistrifluoromethylnitrobenzeneradicalanioninanhydrousdmfatemperatureactivationtheoryofreversiblehfstransformationsofeprspectrum AT pvmelnikov dynamicsofhinderedcf3rotorin25bistrifluoromethylnitrobenzeneradicalanioninanhydrousdmfatemperatureactivationtheoryofreversiblehfstransformationsofeprspectrum |