A non-metal-to-metal I+−Ag+ coordination bond
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 iod...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-08-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-025-62191-1 |
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| Summary: | 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]2 2− 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. |
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| ISSN: | 2041-1723 |