A1 Journal article (refereed)
Linear bis‐Coordinate Silver(I) and Iodine(I) Complexes with R3R2R1N Tertiary Amines (2023)

Kumar, P., Komulainen, J., Frontera, A., Ward, J. S., Schalley, C., Rissanen, K., & Puttreddy, R. (2023). Linear bis‐Coordinate Silver(I) and Iodine(I) Complexes with R3R2R1N Tertiary Amines. Chemistry : A European Journal, 29(69), Article e202302162. https://doi.org/10.1002/chem.202302162

JYU authors or editors

Publication details

All authors or editors: Kumar, Parveen; Komulainen, Joonas; Frontera, Antonio; Ward, Jas S.; Schalley, Christoph; Rissanen, Kari; Puttreddy, Rakesh

Journal or series: Chemistry : A European Journal

ISSN: 0947-6539

eISSN: 1521-3765

Publication year: 2023

Publication date: 08/09/2023

Volume: 29

Issue number: 69

Article number: e202302162

Publisher: Wiley-VCH Verlag

Publication country: Germany

Publication language: English

DOI: https://doi.org/10.1002/chem.202302162

Publication open access: Openly available

Publication channel open access: Partially open access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/93400

Abstract

Homoleptic [L–I–L]⁺ iodine(I) complexes (where L is a R3R2R1N tertiary amine) were synthesized via the [L–Ag–L]⁺ → [L–I–L]⁺ cation exchange reaction. In solution, the amines form [R3R2R1N-Ag-NR1R2R3]⁺ silver(I) complexes, which crystallize out from solution as the meso-[L–Ag–L]+complexes, as characterized by X-ray crystallography. The subsequent [L–I–L]⁺ iodine(I) analogues were extremely reactive and could not be isolated in the solid state. Density Functional Theory (DFT) calculations were performed to study the Ag⁺–N and I⁺–N interaction energies in silver(I) and iodine(I) complexes, with the former ranging from -80 to -100 kJmol-1 and latter from -260 to -279 kJmol-1. The X-ray crystal structures revealed Ag+···Cπ and Ag+···H–C short contacts between the silver(I) cation and flexible N-alkyl/N-aryl groups, which are the first of their kind in such precursor complexes.

Keywords: coordination complexes; halogens; iodine; amines; chemical bonds

Free keywords: halogen bond; meso; tertiary amines; X-ray structure; coordination bond

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Ministry reporting: Yes

VIRTA submission year: 2023

JUFO rating: 2