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Pattern of covalent and non-covalent interactions within the pentaiodide anion in the structure of (3-HOC5H9NH2)I5статья
- Авторы: Shestimerova Tatiana A., Bykov Andrey V., Kuznetsov Alexey N., Grishko Alexey Y., Wei Zheng, Dikarev Evgeny V., Shevelkov Andrei V.
- Журнал: Zeitschrift für anorganische und allgemeine Chemie
- Год издания: 2022
- Издательство: Wiley - V C H Verlag GmbbH & Co.
- Местоположение издательства: Germany
- DOI: 10.1002/zaac.202200039
- Аннотация: 3-Hydroxypiperidinium pentaiodide was synthesized by a facile reaction in concentrated aqueous HI. Its crystal structure comprises 3-hydroxypiperidinium cations and pentaiodide anions, the latter having geometry of cis -shaped chains composed of I 2 and I 3 - building units. The analysis of interatomic distances, Raman spectroscopy data, and results of DFT calculations, including non-covalent interaction analysis, showed that the title compound exhibits a complex pattern of covalent and non-covalent interactions. Those include I–I covalent bonds and I···I halogen bonds within the I 5 - anion as well as (N)H···I and (O)H···I hydrogen bonds and even weaker (C)H···I van-der-Waals interactions between the cations and anions
- Добавил в систему: Кузнецов Алексей Николаевич