Pancake-Bonding of Semiquinone Radicals under Variable Temperature and Pressure Conditions Научная публикация
| Журнал |
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
ISSN: 2052-5192 , E-ISSN: 2052-5206 |
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| Вых. Данные | Год: 2020, Том: B76, Номер: 2, Страницы: 285-291 Страниц : 7 DOI: 10.1107/s2052520620002772 | ||||||
| Ключевые слова | multicentric two-electron bonding; pancake bonding; semiquinone radicals; high pressure; low temperature | ||||||
| Авторы |
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| Организации |
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Информация о финансировании (2)
| 1 | Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) | 0239-2019-0003 |
| 2 | Ministarstvo znanosti i obrazovanja | IP-2019-04-4674 |
Реферат:
The effects of temperature (100–370 K) and pressure (0–6 GPa) on the non-localized two-electron multicentric covalent bonds (`pancake bonding') in closely bound radical dimers were studied using single-crystal X-ray diffraction on a 4-cyano-N-methylpyridinium salt of 5,6-dichloro-2,3-dicyanosemiquinone radical anion (DDQ) as the sample compound. On cooling, the anisotropic structural compression was accompanied by continuous changes in molecular stacking; the discontinuities in the changes in volume and b and c cell parameters suggest that a phase transition occurs between 210 and 240 K. At a pressure of 2.55 GPa, distances between radical dimers shortened to 2.9 Å, which corresponds to distances observed in extended π-bonded polymers. Increasing pressure further to 6 GPa reduced the interplanar separation of the radicals to 2.75 Å. This may indicate that the covalent component of the interaction significantly increased, in accordance with the results of DFT calculations reported elsewhere [Molčanov et al. (2019), Cryst. Growth Des. 19, 391–402].
Библиографическая ссылка:
Bogdanov N.E.
, Milašinović V.
, Zakharov B.A.
, Boldyreva E.V.
, Molčanov K.
Pancake-Bonding of Semiquinone Radicals under Variable Temperature and Pressure Conditions
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2020. V.B76. N2. P.285-291. DOI: 10.1107/s2052520620002772 WOS Scopus РИНЦ CAPlus PMID OpenAlex
Pancake-Bonding of Semiquinone Radicals under Variable Temperature and Pressure Conditions
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2020. V.B76. N2. P.285-291. DOI: 10.1107/s2052520620002772 WOS Scopus РИНЦ CAPlus PMID OpenAlex
Даты:
| Поступила в редакцию: | 3 янв. 2020 г. |
| Принята к публикации: | 27 февр. 2020 г. |
| Опубликована online: | 24 мар. 2020 г. |
| Опубликована в печати: | 1 апр. 2020 г. |
Идентификаторы БД:
| Web of science: | WOS:000525346200014 |
| Scopus: | 2-s2.0-85083077991 |
| РИНЦ: | 43269355 |
| Chemical Abstracts: | 2020:648283 |
| PMID (PubMed): | 32831231 |
| OpenAlex: | W3013293632 |