Diaryliodonium Tetracyanidometallates Self-Assemble into Halogen-Bonded Square-Like Arrays; Crystal Growth & Design; Vol. 22, iss. 4
| Parent link: | Crystal Growth & Design Vol. 22, iss. 4.— 2022.— [10 p.] |
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| Korporacja: | |
| Kolejni autorzy: | , , , , , , |
| Streszczenie: | Title screen Two diphenyliodonium tetracyanidometallates, [Ph2I]2[M(CN)4] (M = Ni and Pd), were prepared through anion metathesis. Their X-ray structural analyses show that the structure-defining contact for both crystals is the charge-assisted I···N halogen bond (HaB) formed between the I atom of the iodonium cations and the N atoms of the CN– ligands. These HaBs assemble the bidentate and 90°-orienting HaB donor Ph2I+ and the tetradentate, square planar, and 90/180°-orienting HaB acceptors [M(CN)4]2– into supramolecular rectangles, which further assemble into infinite chains by sharing the vertexes occupied by the [M(CN)4]2– anions. The noncovalent nature of these contacts was confirmed by density functional theory calculations (M06/def2-TZVP) followed by combined topological analysis of the electron density distribution in the quantum theory of the atoms-in-molecules approach and noncovalent interaction analysis. The philicities of the HaB partners were further verified by the analysis of electron localization function projections, electron density/electrostatic potential profiles along the I···N bond paths, natural bond orbital analysis, and the natural population analysis or atoms-in-molecules charge sums in model systems. |
| Język: | angielski |
| Wydane: |
2022
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| Hasła przedmiotowe: | |
| Dostęp online: | https://doi.org/10.1021/acs.cgd.2c00175 |
| Format: | Elektroniczne Rozdział |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=667766 |
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| 200 | 1 | |a Diaryliodonium Tetracyanidometallates Self-Assemble into Halogen-Bonded Square-Like Arrays |f V. V. Suslonov, N. S. Soldatova, P. S. Postnikov [et al.] | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 330 | |a Two diphenyliodonium tetracyanidometallates, [Ph2I]2[M(CN)4] (M = Ni and Pd), were prepared through anion metathesis. Their X-ray structural analyses show that the structure-defining contact for both crystals is the charge-assisted I···N halogen bond (HaB) formed between the I atom of the iodonium cations and the N atoms of the CN– ligands. These HaBs assemble the bidentate and 90°-orienting HaB donor Ph2I+ and the tetradentate, square planar, and 90/180°-orienting HaB acceptors [M(CN)4]2– into supramolecular rectangles, which further assemble into infinite chains by sharing the vertexes occupied by the [M(CN)4]2– anions. The noncovalent nature of these contacts was confirmed by density functional theory calculations (M06/def2-TZVP) followed by combined topological analysis of the electron density distribution in the quantum theory of the atoms-in-molecules approach and noncovalent interaction analysis. The philicities of the HaB partners were further verified by the analysis of electron localization function projections, electron density/electrostatic potential profiles along the I···N bond paths, natural bond orbital analysis, and the natural population analysis or atoms-in-molecules charge sums in model systems. | ||
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| 461 | |t Crystal Growth & Design | ||
| 463 | |t Vol. 22, iss. 4 |v [10 p.] |d 2022 | ||
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| 701 | 1 | |a Suslonov |b V. V. |c Chemist |c Junior Researcher of Tomsk Polytechnic University |f 1992- |g Vitaly Valerjevich |3 (RuTPU)RU\TPU\pers\47036 |9 22630 | |
| 701 | 1 | |a Soldatova |b N. S. |c organic chemist |c engineer of Tomsk Polytechnic University |f 1992- |g Nataliya Sergeevna |3 (RuTPU)RU\TPU\pers\36289 |9 19363 | |
| 701 | 1 | |a Postnikov |b P. S. |c organic chemist |c Associate Professor of Tomsk Polytechnic University, Candidate of chemical sciences |f 1984- |g Pavel Sergeevich |3 (RuTPU)RU\TPU\pers\31287 |9 15465 | |
| 701 | 1 | |a Resnati |b D. P. |g Dzhuzeppe Paolo | |
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