Protonation of ninhydrin and indan-1,2,3-trione revisited: A combined theoretical and experimental study

George E. Salnikov, Alexander M. Genaev, Andrey V. Shernyukov, Vyacheslav G. Shubin

Результат исследования: Научные публикации в периодических изданияхстатья

1 Цитирования (Scopus)

Аннотация

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 13C NMR chemical shifts of indantrione on media acidity allows using this compound as a convenient indicator of acidity in a broad range, from H0 −3 to −25.

Язык оригиналаанглийский
Страницы (с-по)1-5
Число страниц5
ЖурналJournal of Molecular Structure
Том1134
DOI
СостояниеОпубликовано - 15 апр 2017

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