Protonation of ninhydrin and indan-1,2,3-trione revisited: A combined theoretical and experimental study Научная публикация
| Журнал |
Journal of Molecular Structure
ISSN: 0022-2860 , E-ISSN: 1872-8014 |
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| Вых. Данные | Год: 2017, Том: 1134, Страницы: 1-5 Страниц : 5 DOI: 10.1016/j.molstruc.2016.12.057 | ||||
| Ключевые слова | Ninhydrin; Superacid; NMR; Quantum chemistry calculations | ||||
| Авторы |
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Реферат:
The literature data on protonation of indan-1,2,3-trione and ninhydrin (indantrione hydrate) in acidic media are inconsistent, formation of dications at pH 3 and very low extent of protonation in superacid CF3SO3H were claimed. Our combined theoretical (DFT, MP2, CCSD) and experimental (NMR) study has shown that indantrione undergoes single protonation in CF3SO3H resulting in monocation formation. In more strong superacid FSO3H-SbF5 dication is formed, but, contrary to the literary data, trication is not formed even in this superacid. Significant dependence of C-13 NMR chemical shifts of indantrione on media acidity allows using this compound as a convenient indicator of acidity in a broad range, from Ho -3 to -25. (C) 2016 Elsevier B.V. All rights reserved.
Библиографическая ссылка:
Salnikov G.E.
, Genaev A.M.
, Shernyukov A.V.
, Shubin V.G.
Protonation of ninhydrin and indan-1,2,3-trione revisited: A combined theoretical and experimental study
Journal of Molecular Structure. 2017. V.1134. P.1-5. DOI: 10.1016/j.molstruc.2016.12.057 WOS Scopus РИНЦ OpenAlex
Protonation of ninhydrin and indan-1,2,3-trione revisited: A combined theoretical and experimental study
Journal of Molecular Structure. 2017. V.1134. P.1-5. DOI: 10.1016/j.molstruc.2016.12.057 WOS Scopus РИНЦ OpenAlex
Даты:
| Опубликована в печати: | 1 апр. 2017 г. |
Идентификаторы БД:
| Web of science: | WOS:000394919100001 |
| Scopus: | 2-s2.0-85007328532 |
| РИНЦ: | 29469510 |
| OpenAlex: | W2566205250 |