Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding
| Parent link: | CrystEngComm.— .— London: Royal Society of Chemistry Vol. 25 - iss. 44.— 2023.— P. 6152-6161 |
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| Muut tekijät: | , , , , , , , , , |
| Yhteenveto: | Novel nitronyl nitroxides, namely 2-(3-iodoethynylphenyl)- and 2-(4-iodoethynylphenyl)-4,4,5,5-tetramethyl-imidazoline-3-oxyl-1-oxides, were prepared by condensation of appropriate aldehydes with 2,3-bis(hydroxylamino)-2,3-dimethylbutane followed by oxidative treatment with NaIO4. Crystal and molecular structures of the obtained paramagnets were studied by single-crystal X-ray diffraction. In the crystals, the radicals are assembled into zigzag chains in which the radical building blocks are linked by intermolecular I⋯N–O halogen bonding. Magnetic analyses revealed that in both nitronyl nitroxides, the radicals are weakly coupled. Nonetheless, spin–spin interactions in the 3-iodoethynyl isomer are antiferromagnetic, and the coupling is stronger than that in the 4-iodoethynyl derivative, in which the exchange interaction is ferromagnetic. DFT calculations in combination with MEP, NCIplot, and QTAIM analyses were used to evaluate and characterize the structure-directing halogen bonding interactions observed in the solid state of both compounds. Текстовый файл |
| Kieli: | englanti |
| Julkaistu: |
2023
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| Aiheet: | |
| Linkit: | https://doi.org/10.1039/D3CE00735A |
| Aineistotyyppi: | Elektroninen Kirjan osa |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=672703 |