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Title: Pattern of covalent and non‐covalent interactions within the pentaiodide anion in the structure of (3‐HOC 5 H 9 NH 2 )I 5
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 I3building 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 I5anion 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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Award ID(s):
1955585
NSF-PAR ID:
10369756
Author(s) / Creator(s):
 ;  ;  ;  ;  ;  ;  
Publisher / Repository:
Wiley Blackwell (John Wiley & Sons)
Date Published:
Journal Name:
Zeitschrift für anorganische und allgemeine Chemie
Volume:
648
Issue:
15
ISSN:
0044-2313
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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