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

Rautiainen, Mikko
Lundell, Jan
Rissanen, Kari
Puttreddy, Rakesh

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

Fields of science: