A1 Journal article (refereed)
Dichlorine–pyridine N-oxide halogen-bonded complexes (2024)
Limberg, N., Rautiainen, J. M., Lundell, J., Riedel, S., Rissanen, K., & Puttreddy, R. (2024). Dichlorine–pyridine N-oxide halogen-bonded complexes. Chemical Science, 15(45), 18840-18845. https://doi.org/10.1039/d4sc06270a
JYU authors or editors
Publication details
All authors or editors: Limberg, Niklas; Rautiainen, J. Mikko; Lundell, Jan; Riedel, Sebastian; Rissanen, Kari; Puttreddy, Rakesh
Journal or series: Chemical Science
ISSN: 2041-6520
eISSN: 2041-6539
Publication year: 2024
Publication date: 21/10/2024
Volume: 15
Issue number: 45
Pages range: 18840-18845
Publisher: Royal Society of Chemistry
Publication country: United Kingdom
Publication language: English
DOI: https://doi.org/10.1039/d4sc06270a
Publication open access: Openly available
Publication channel open access: Open Access channel
Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/98285
Abstract
A new Cl–Cl···−O–N+ halogen-bonded paradigm has been demonstrated, using dichlorine as a halogen bond (XB) donor and N-oxide as an XB acceptor. Their crystalline complexes were formed during the warm-up process from −196 °C to −80 °C for X-ray diffraction analysis. They exhibit high instability in the crystalline state, even at these low temperatures, leading to rapid decomposition and the formation of Cl⋯H–O–N hydrogen-bonded complexes. The normalized XB interaction ratio (RXB) of Cl⋯O interactions in the solid-state demonstrates affinity comparable to traditional I⋯O interactions observed in I–I···−O–N+ halogen-bonded systems. The Cl–Cl⋯O XB angles vary from 172° to 177°, manifesting the structure-guiding influence of the electronegative chlorine atom's σ-hole on these XB interactions.
Keywords: halogens; chemical reactions
Contributing organizations
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Ministry reporting: Yes
VIRTA submission year: 2024
Preliminary JUFO rating: 3
- Inorganic Chemistry (Department of Chemistry CHEM)
- Nanoscience Center (Department of Physics PHYS, JYFL) (Faculty of Mathematics and Science) (Department of Chemistry CHEM) (Department of Biological and Environmental Science BIOENV) NSC
- Chemistry (Department of Chemistry CHEM) KEM
- School of Resource Wisdom (University of Jyväskylä JYU) JYU.Wisdom
- Chemistry Education (Department of Chemistry CHEM)
- Organic Chemistry (Department of Chemistry CHEM) KEO
- The Unit of Applied Chemistry (Kokkola University Consortium Chydenius KYC, CHYD)