Staff View: I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties

I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties

1:1 Co-crystals formed between 1,4-diiodotetrafluorobenzene and each of the three isomeric npyridinealdazines (n = 2, 3 and 4) have been characterised by X-ray crystallography, a variety of spectroscopic methods, viz. IR, Raman, NMR: solution- and solid-state (13C CP MAS and 13C HPDEC MAS) and fluor...

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Main Authors:	Yeo, Chien Ing , Tan, Yee Seng , Kwong, Huey Chong, Lee, Vannajan Sanghiran, Tiekink, Edward R. T.
Format:	Article
Language:	English
Published:	Royal Society of Chemistry 2022
Subjects:	QD Chemistry
Online Access:	http://eprints.sunway.edu.my/2125/1/crystengcomm%202022%2024%207579.pdf http://eprints.sunway.edu.my/2125/ https://pubs.rsc.org/en/content/articlelanding/2022/ce/d2ce01165d
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spelling	my.sunway.eprints.21252022-11-14T01:43:27Z http://eprints.sunway.edu.my/2125/ I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties Yeo, Chien Ing * Tan, Yee Seng * Kwong, Huey Chong* Lee, Vannajan Sanghiran Tiekink, Edward R. T. * QD Chemistry 1:1 Co-crystals formed between 1,4-diiodotetrafluorobenzene and each of the three isomeric npyridinealdazines (n = 2, 3 and 4) have been characterised by X-ray crystallography, a variety of spectroscopic methods, viz. IR, Raman, NMR: solution- and solid-state (13C CP MAS and 13C HPDEC MAS) and fluorescence as well as by computational chemistry techniques. The primary connection between the respective coformers arises from I···N halogen bonds which give rise to one-dimensional supramolecular chains of varying topology depending on the position of the nitrogen atom in the n-pyridinealdazine isomer. The energies calculated for the I···N contacts are relatively small, varying from -5.4 to -6.3 kcal/mol, with the maximum being in the crystal of the 2 n = 3 isomer. Notable in the molecular packing are C-I···π(pyridine) and C–F···π(arene) interactions in the crystals with the 3- and 4-pyridinealdazine coformers, respectively. The cocrystal formed by 2-pyridinealdazine exhibited fluorescence emission. Royal Society of Chemistry 2022 Article PeerReviewed text en cc_by_nc http://eprints.sunway.edu.my/2125/1/crystengcomm%202022%2024%207579.pdf Yeo, Chien Ing * and Tan, Yee Seng * and Kwong, Huey Chong* and Lee, Vannajan Sanghiran and Tiekink, Edward R. T. * (2022) I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties. CrystEngComm, 24 (43). pp. 7579-7591. ISSN 1466-8033 https://pubs.rsc.org/en/content/articlelanding/2022/ce/d2ce01165d 10.1039/D2CE01165D
institution	Sunway University
building	Sunway Campus Library
collection	Institutional Repository
continent	Asia
country	Malaysia
content_provider	Sunway University
content_source	Sunway Institutional Repository
url_provider	http://eprints.sunway.edu.my/
language	English
topic	QD Chemistry
spellingShingle	QD Chemistry Yeo, Chien Ing * Tan, Yee Seng * Kwong, Huey Chong* Lee, Vannajan Sanghiran Tiekink, Edward R. T. * I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties
description	1:1 Co-crystals formed between 1,4-diiodotetrafluorobenzene and each of the three isomeric npyridinealdazines (n = 2, 3 and 4) have been characterised by X-ray crystallography, a variety of spectroscopic methods, viz. IR, Raman, NMR: solution- and solid-state (13C CP MAS and 13C HPDEC MAS) and fluorescence as well as by computational chemistry techniques. The primary connection between the respective coformers arises from I···N halogen bonds which give rise to one-dimensional supramolecular chains of varying topology depending on the position of the nitrogen atom in the n-pyridinealdazine isomer. The energies calculated for the I···N contacts are relatively small, varying from -5.4 to -6.3 kcal/mol, with the maximum being in the crystal of the 2 n = 3 isomer. Notable in the molecular packing are C-I···π(pyridine) and C–F···π(arene) interactions in the crystals with the 3- and 4-pyridinealdazine coformers, respectively. The cocrystal formed by 2-pyridinealdazine exhibited fluorescence emission.
format	Article
author	Yeo, Chien Ing * Tan, Yee Seng * Kwong, Huey Chong* Lee, Vannajan Sanghiran Tiekink, Edward R. T. *
author_facet	Yeo, Chien Ing * Tan, Yee Seng * Kwong, Huey Chong* Lee, Vannajan Sanghiran Tiekink, Edward R. T. *
author_sort	Yeo, Chien Ing *
title	I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties
title_short	I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties
title_full	I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties
title_fullStr	I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties
title_full_unstemmed	I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties
title_sort	i···n halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties
publisher	Royal Society of Chemistry
publishDate	2022
url	http://eprints.sunway.edu.my/2125/1/crystengcomm%202022%2024%207579.pdf http://eprints.sunway.edu.my/2125/ https://pubs.rsc.org/en/content/articlelanding/2022/ce/d2ce01165d
_version_	1751539595534663680
score	13.211869

I···N Halogen bonding in 1:1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): Assessment of supramolecular association and influence upon solid-state photoluminescence properties

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