Key-to-Lock Halogen Bond-Based Tetragonal Pyramidal Association of Iodonium Cations with the Lacune Rims of Beta-Octamolybdate
| Parent link: | Chemical Science.— .— London: Royal Society of Chemistry Vol. 15, iss. 13.— 2024.— P. 12459-12472 |
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| Other Authors: | , , , , , , , |
| Summary: | Title screen The structure-directing “key-to-lock” interaction of double σ-(IIII)-hole donating iodonium cations with the O-flanked pseudo-lacune rims of [β-Mo8O26]4– gives halogen-bonded iodonium–beta-octamolybate supramolecular associates. In the occurrence of their tetragonal pyramidal motifs, deep and broad σ-(IIII)-holes of a cation recognize the molybdate backbone, which provides an electronic pool localized around the two lacunae. The halogen-bonded I∙∙∙O linkages in the structures were thoroughly studied computationally and classified as two-center, three-center bifurcated, and unconventional “orthogonal” I∙∙∙O halogen bonds. In the latter, the O-atom approaches orthogonally the C–IIII–C plane of an iodonium cation and this geometry diverge from the IUPAC criteria for the identification of the halogen bond. Текстовый файл AM_Agreement |
| Published: |
2024
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| Online Access: | https://doi.org/10.1039/D4SC01695E |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=673423 |
| Summary: | Title screen The structure-directing “key-to-lock” interaction of double σ-(IIII)-hole donating iodonium cations with the O-flanked pseudo-lacune rims of [β-Mo8O26]4– gives halogen-bonded iodonium–beta-octamolybate supramolecular associates. In the occurrence of their tetragonal pyramidal motifs, deep and broad σ-(IIII)-holes of a cation recognize the molybdate backbone, which provides an electronic pool localized around the two lacunae. The halogen-bonded I∙∙∙O linkages in the structures were thoroughly studied computationally and classified as two-center, three-center bifurcated, and unconventional “orthogonal” I∙∙∙O halogen bonds. In the latter, the O-atom approaches orthogonally the C–IIII–C plane of an iodonium cation and this geometry diverge from the IUPAC criteria for the identification of the halogen bond. Текстовый файл AM_Agreement |
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| DOI: | 10.1039/D4SC01695E |