Halogen Bonding as a Supramolecular Modulator of Crystal Packing and Exchange Interactions in Nitronyl Nitroxides; Crystal Growth & Design; Vol. 24, iss. 5
| Parent link: | Crystal Growth & Design.— .— Washington: ACS Publications Vol. 24, iss. 5.— 2024.— P. 2104-2116 |
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| Altres autors: | , , , , , , , , , , , , |
| Sumari: | Title screen Текстовый файл AM_Agreement |
| Idioma: | anglès |
| Publicat: |
2024
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| Matèries: | |
| Accés en línia: | https://doi.org/10.1021/acs.cgd.3c01442 |
| Format: | MixedMaterials Electrònic Capítol de llibre |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=674300 |
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| 200 | 1 | |a Halogen Bonding as a Supramolecular Modulator of Crystal Packing and Exchange Interactions in Nitronyl Nitroxides |f Pavel V. Petunin, Evgeny V. Tretyakov, Matvey K. Shurikov [et al.] | |
| 203 | |a Текст |b визуальный |c электронный | ||
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| 300 | |a Title screen | ||
| 320 | |a Through the interaction of a halogen bond donor (1,4-diiodotetrafluorobenzene; 1,4-FIB) with isomers of pyridyl-substituted nitronyl nitroxides (Py-NN), five novel cocrystals were constructed via halogen bonding. The cocrystals (pPy-NN)n·1,4-FIB (n = 1, 2, 4) and (mPy-NN)n·1,4-FIB (n = 1, 2) are represented by the discrete clusters Py-NN·1,4-FIB·NN-Py, cyclic tetrameric structures (pPy-NN)4·(1,4-FIB)4, or one-dimensional (1D) zigzag chains. Density functional theory calculations were used to analyze the nature of the halogen bonds and to compare the strengths of I···NPy and I···ONO interactions. The halogen bonds were shown to be quite strong, ranging from 6.4 to 9.0 kcal/mol, according to the QTAIM analysis. In addition, quantum chemical analyses revealed relatively weak exchange interactions of both ferromagnetic and antiferromagnetic nature, indicating a modulating effect of the halogen bonding on magnetic properties. These findings point to the potential usefulness of halogen bonding interactions for promoting the self-assembly of stable organic radicals for further use in the preparation of exchange-coupled organic spin systems. | ||
| 336 | |a Текстовый файл | ||
| 371 | |a AM_Agreement | ||
| 461 | 1 | |t Crystal Growth & Design |c Washington |n ACS Publications | |
| 463 | 1 | |t Vol. 24, iss. 5 |v P. 2104-2116 |d 2024 | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a электронный ресурс | |
| 701 | 1 | |a Petunin |b P. V. |c chemist |c Associate Professor of Tomsk Polytechnic University, Candidate of Chemical Sciences |f 1982- |g Pavel Vasilievich |9 19933 | |
| 701 | 1 | |a Tretyakov |b E, V. |g Evgeny | |
| 701 | 1 | |a Shurikov |b M. K. |c Chemist |c Laboratory assistant of Tomsk Polytechnic University |f 2000- |g Matvey Konstantinovich |9 22267 | |
| 701 | 1 | |a Votkina |b D. E. |c chemical engineer |c Associate Scientist of the Tomsk Polytechnic University |f 1995- |g Darjya Evgenjevna |9 21944 | |
| 701 | 1 | |a Romanenko |b G. V. |g Galina Vladislavovna | |
| 701 | 1 | |a Dmitriev |b A. A. |g Aleksey Anatoljevich | |
| 701 | 1 | |a Gritsan |b N. P. |g Nina Petrovna | |
| 701 | 1 | |a Ivanov |b D. M. |c Chemist |c Senior researcher of Tomsk Polytechnic University, Candidate of chemical sciences |f 1992- |g Daniil Mikhaylovich |9 22632 | |
| 701 | 1 | |a Rosa |b M. G. |g Maria Gomila | |
| 701 | 1 | |a Frontera |b A. |g Antonio | |
| 701 | 1 | |a Resnati |b D. P. |g Dzhuzeppe Paolo | |
| 701 | 1 | |a Kukushkin |b V. Yu. |g Vadim Yurjevich | |
| 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 |9 15465 | |
| 801 | 0 | |a RU |b 63413507 |c 20240829 | |
| 856 | 4 | |u https://doi.org/10.1021/acs.cgd.3c01442 |z https://doi.org/10.1021/acs.cgd.3c01442 | |
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