Issue 45, 2022

An unprecedented non-classical polyinterhalogen anion made of [I2Cl] and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template

Abstract

The reactivity between 2-(p-tolyl)selenopheno[2,3-b]pyridine (L) and ICl in MeCN is presented. Single crystal structure analysis revealed the formation of two distinct crystalline materials both featuring the protonated 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation [HL]+. Colourless crystals were identified as the dihydrate salt [HL]Cl·2H2O (1), and dark-red crystals as compound {[HL]+[I2Cl]}3·1/2I2 (2) that features the peculiar presence of the rare non-classical [I2Cl] interhalide. Halogen Bonds (XBs) between the cocrystallized I2 molecule and [I2Cl] anions led to the novel overall discrete [I10Cl4]4−H-shaped polyinterhalide formation, which is stabilized through hydrogen bonds (HBs) with the templating [HL]+ cations. The experimental observations are supported by extensive theoretical calculations at the DFT level that were employed to study the role played by non-covalent interactions in the formation of the presented unique polyinterhalide.

Graphical abstract: An unprecedented non-classical polyinterhalogen anion made of [I2Cl]− and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template

Supplementary files

Article information

Article type
Paper
Submitted
22 Sept. 2022
Accepted
30 Okt. 2022
First published
31 Okt. 2022

New J. Chem., 2022,46, 21921-21929

An unprecedented non-classical polyinterhalogen anion made of [I2Cl] and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template

M. C. Aragoni, E. Podda, M. Arca, A. Pintus, V. Lippolis, C. Caltagirone, R. H. Bartz, E. J. Lenardão, G. Perin, R. F. Schumacher, S. J. Coles and J. B. Orton, New J. Chem., 2022, 46, 21921 DOI: 10.1039/D2NJ04689J

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