An unprecedented non-classical polyinterhalogen anion made of [I2Cl]− and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template
An unprecedented non-classical polyinterhalogen anion made of [I2Cl]− and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template
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.
21921-21929
Aragoni, M. Carla
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Podda, Enrico
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Arca, Massimiliano
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Pintus, Anna
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Lippolis, Vito
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Caltagirone, Claudia
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Bartz, Ricardo H.
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Lenardão, Eder J.
891174e3-307c-4e42-bbf1-10e468bb56de
Perin, Gelson
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Schumacher, Ricardo F.
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Coles, Simon J.
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Orton, James B.
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31 October 2022
Aragoni, M. Carla
3e73ed7a-2cf7-4f5e-9359-61d6e34a6cd5
Podda, Enrico
14a14e34-7d30-440d-83d6-004332a23a0e
Arca, Massimiliano
f90b59f6-4dfb-471d-912e-3515e6507165
Pintus, Anna
d2ae260a-d159-48a7-b000-539e8c19c68e
Lippolis, Vito
d9833a14-4aab-4827-a2ba-be818871dcf5
Caltagirone, Claudia
9148afed-6af0-4fcd-b30e-daa3d7765dc0
Bartz, Ricardo H.
b39cdbc0-5c1f-4836-895f-827e7cada9c3
Lenardão, Eder J.
891174e3-307c-4e42-bbf1-10e468bb56de
Perin, Gelson
04f1607d-b1b3-487e-bf86-31e9eb9de181
Schumacher, Ricardo F.
aea3aede-8383-4f2f-bbe5-6251d1fed62f
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Orton, James B.
4e2a471f-9e11-4cb4-abb6-d0398047939f
Aragoni, M. Carla, Podda, Enrico, Arca, Massimiliano, Pintus, Anna, Lippolis, Vito, Caltagirone, Claudia, Bartz, Ricardo H., Lenardão, Eder J., Perin, Gelson, Schumacher, Ricardo F., Coles, Simon J. and Orton, James B.
(2022)
An unprecedented non-classical polyinterhalogen anion made of [I2Cl]− and I2 at the 2-(p-tolyl)selenopheno[2,3-b]pyridinium cation template.
New Journal of Chemistry, 46 (45), .
(doi:10.1039/d2nj04689j).
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.
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More information
Accepted/In Press date: 30 October 2022
Published date: 31 October 2022
Additional Information:
Funding Information:
Mr Nikolay Zhelev (University of Southampton) is kindly acknowledged for the Raman spectroscopy measurements reported in the present study and to Prof. Andrea Russell (University of Southampton) for access to the Raman microscope. This study was financed in part by the Coordenação de Aper-feiçoamento de Pessoal de Nível Superior - Brasil (CAPES) - Finance Code 001. FAPERGS (PqG 21/2551-0002094-6 and PqG 19/2551-0001867-3), CNPq (Universal 422645/2021-4), FINEP and the University of Cagliari are acknowledged for financial support.
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Local EPrints ID: 478292
URI: http://eprints.soton.ac.uk/id/eprint/478292
ISSN: 1144-0546
PURE UUID: c06f116e-f800-4060-9663-7b851fde21a6
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Date deposited: 27 Jun 2023 17:18
Last modified: 18 Mar 2024 02:50
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Contributors
Author:
M. Carla Aragoni
Author:
Enrico Podda
Author:
Massimiliano Arca
Author:
Anna Pintus
Author:
Vito Lippolis
Author:
Claudia Caltagirone
Author:
Ricardo H. Bartz
Author:
Eder J. Lenardão
Author:
Gelson Perin
Author:
Ricardo F. Schumacher
Author:
James B. Orton
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