Key-to-Lock Halogen Bond-Based Tetragonal Pyramidal Association of Iodonium Cations with the Lacune Rims of Beta-Octamolybdate

Key-to-Lock Halogen Bond-Based Tetragonal Pyramidal Association of Iodonium Cations with the Lacune Rims of Beta-Octamolybdate

Dettagli Bibliografici
Parent link:Chemical Science.— .— London: Royal Society of Chemistry
Vol. 15, iss. 13.— 2024.— P. 12459-12472
Ente Autore: National Research Tomsk Polytechnic University (570)
Altri autori: Soldatova N. S. Nataliya Sergeevna, Radzhabov A. D. Amirbek Dzhurabekovich, Ivanov D. M. Daniil Mikhaylovich, Burguera S. Sergi, Frontera A. Antonio, Abramov P. A. Pavel Aleksandrovich, Postnikov P. S. Pavel Sergeevich, Kukushkin V. Yu. Vadim Yurjevich
Riassunto: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
Lingua:inglese
Pubblicazione: 2024
Soggetti:
электронный ресурс
труды учёных ТПУ
halogen bonding
iodonium
octamolybdate
Accesso online:https://doi.org/10.1039/D4SC01695E
Natura: Elettronico Capitolo di libro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=673423

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