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A non-metal-to-metal I+−Ag+ coordination bond

Author

Listed:
  • Rakesh Puttreddy

    (University of Jyvaskyla)

  • Niklas Limberg

    (Freie Universität Berlin)

  • Carsten Müller

    (Freie Universität Berlin)

  • Sebastian Riedel

    (Freie Universität Berlin)

  • Antonio Frontera

    (Universitat de les Illes Balears)

  • Jan Lundell

    (University of Jyvaskyla)

  • Kari Rissanen

    (University of Jyvaskyla)

Abstract

Metal-metal bonds between metal cations are ubiquitous in coordination complexes, whereas similar bonding characteristics between non-metal and metal cations are not. Here, we report an X-ray crystal structure of a centrosymmetric complex [Ag(m-O3SCF3)2{(4MePyNO)2I}]2 (1-AgI), where the iodine(I) cation forms an unusual 3-centre 4-electron [O–I–O]+ halogen bond with two oxygen atoms from two 4-methylpyridine N-oxide (4MePyNO). The iodine(I) atoms from two [4MePyNO−I−ONPyMe4]+ cations, which, together with the two silver(I) atoms from the paddlewheel [Ag(m-O3SCF3)2]22− structure, establish two unique I+–Ag+ bonds at 2.863(2) Å. This bond length is characteristic of bimetallic coordination bonds such as Au+−Ag+ [2.8553(6) Å], Cu+−Ag+ [2.8616(9) Å], and Pt2+−Ag+ [2.8602(4) Å]. Density Functional Theory calculations unambiguously support the existence of the I+–Ag+ coordination bond between non-metal and metal cations in complex 1-AgI.

Suggested Citation

  • Rakesh Puttreddy & Niklas Limberg & Carsten Müller & Sebastian Riedel & Antonio Frontera & Jan Lundell & Kari Rissanen, 2025. "A non-metal-to-metal I+−Ag+ coordination bond," Nature Communications, Nature, vol. 16(1), pages 1-9, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-62191-1
    DOI: 10.1038/s41467-025-62191-1
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