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Abstract 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 ofcis‐shaped chains composed of I2and I3−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 I5−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.
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Crystallographic and Theoretical Evidences of Anion⋅⋅⋅Anion Interaction
Abstract Planar (HgCl3)−anions are stacked fairly closely together in a slipped parallel arrangement within several crystal structures. Quantum chemical analysis shows evidence of strong noncovalent spodium bonds between the Hgπ‐hole of one unit and the Cl atom of an adjacent unit. Anion⋅⋅⋅anion spodium bonds work in tandem with crystal packing forces.
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- Award ID(s):
- 1954310
- PAR ID:
- 10220685
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- ChemPhysChem
- Volume:
- 22
- Issue:
- 9
- ISSN:
- 1439-4235
- Format(s):
- Medium: X Size: p. 818-821
- Size(s):
- p. 818-821
- Sponsoring Org:
- National Science Foundation
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