A1 Journal article (refereed)
Halogen Bonds in Square Planar 2,5-Dihalopyridine-Copper(II) Bromide Complexes (2018)


Puttreddy, R., von Essen, C., & Rissanen, K. (2018). Halogen Bonds in Square Planar 2,5-Dihalopyridine-Copper(II) Bromide Complexes. European Journal of Inorganic Chemistry, 2018(20-21), 2393-2398. https://doi.org/10.1002/ejic.201800144


JYU authors or editors


Publication details

All authors or editors: Puttreddy, Rakesh; von Essen, Carolina; Rissanen, Kari

Journal or series: European Journal of Inorganic Chemistry

ISSN: 1434-1948

eISSN: 1099-0682

Publication year: 2018

Volume: 2018

Issue number: 20-21

Pages range: 2393-2398

Publisher: Wiley-VCH-Verl.

Publication country: Germany

Publication language: English

DOI: https://doi.org/10.1002/ejic.201800144

Publication open access: Not open

Publication channel open access:

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/58344

Additional information: Special Issue: 20th Anniversary (Celebrating the Past, Present and Future)


Abstract

Halogen bonding in self-complementary 1:2 metal–ligand complexes obtained from copper(II) bromide (CuBr2) and seven 2,5-dihalopyridines were analyzed using single-crystal X-ray diffraction. All presented discrete complexes form 1D polymeric chains connected with C–X···Br–Cu halogen bonds (XB). In (2-chloro-5-X-pyridine)2·CuBr2 (X = Cl, Br, and I) only the C5-halogen and in (2-bromo-5-X-pyridine)2·CuBr2 (X = Cl, Br, and I) both C2- and C5-halogens form C–X···Br–Cu halogen bonds with the X acting as the XB donor and copper-coordinated bromide as the XB acceptor. The electron-withdrawing C2-chloride in (2-chloro-5-X-pyridine)2·CuBr2 complexes has only a minor effect on the C5–X5···Br–Cu XBs, and the X5···Br distances follow the expected order I5 < Br5 < Cl5 with RXB values of 0.91, 0.94, and 0.99, respectively. In (2-bromo-5-X-pyridine)2·CuBr2 complexes, due to the polarization of both halogens, the C2–X2···Br–Cu and C5–X5···Br–Cu RXB values are very similar [0.92–0.99] as a result of the competition between C2- and C5-halogens for XB formation. In addition to the classical halogen bonds, the square-planar CuII complexes exhibit C2–X2···Cu (X = Cl and Br) contacts perpendicular to the Br–Cu–Br plane with shorter C2–Br2···Cu than C2–Cl2···Cu contacts. These interactions induce a pseudo-octahedral geometry for CuII ions. Notably, C2–X2···Br–Cu halogen bonds and the additional C2–X2···Cu contacts are slightly enhanced by the C5-halogen electronegativity.


Keywords: coordination complexes; copper; bromides; halogens

Free keywords: intermolecular interactions; structure elucidation


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Ministry reporting: Yes

Reporting Year: 2018

JUFO rating: 1


Last updated on 2021-18-06 at 18:50