Search

Your search keyword '"Gritsan, Nina P."' showing total 9 results
Start Over Author "Gritsan, Nina P." Publication Year Range This year
9 results on '"Gritsan, Nina P."'

4. From field-induced to zero-field SMMs associated with open/closed structures of bis(ZnDy) tetranuclear complexes: a combined magnetic, theoretical and optical study

Author

Zabala-Lekuona, Andoni, primary, Lopez de Pariza, Xabier, additional, Díaz-Ortega, Ismael Francisco, additional, Cepeda, Javier, additional, Nojiri, Hiroyuki, additional, Gritsan, Nina P., additional, Dmitriev, A. A., additional, López-Ortega, Alberto, additional, Rodríguez Diéguez, Antonio, additional, Seco, José Manuel, additional, and Colacio, Enrique, additional

Published
2024
Full Text
View/download PDF

7. A Nitronyl Nitroxide‐Substituted Benzotriazinyl Tetraradical.

Author

Tretyakov, Evgeny V., Zayakin, Igor A., Dmitriev, Alexey A., Fedin, Matvey V., Romanenko, Galina V., Bogomyakov, Artem S., Akyeva, Anna Ya., Syroeshkin, Mikhail A., Yoshioka, Naoki, and Gritsan, Nina P.

Subjects
NITROXIDES, MOLECULAR crystals, MOLECULAR structure, ELECTRON paramagnetic resonance spectroscopy, EXCITED states, RADICALS (Chemistry), SUZUKI reaction, SONOGASHIRA reaction
Abstract

High‐spin organic tetraradicals with significant intramolecular exchange interactions have high potential for advanced technological applications and fundamental research, but those synthesized to date possess limited stability and processability. In this work, we have designed a tetraradical based on the Blatter's radical and nitronyl nitroxide radical moieties and successfully synthesized it by using the palladium‐catalyzed cross‐coupling reaction of a triiodo‐derivative of the 1,2,4‐benzotriazinyl radical with gold(I) nitronyl nitroxide‐2‐ide complex in the presence of a newly developed efficient catalytic system. The molecular and crystal structure of the tetraradical was confirmed by X‐ray diffraction analysis. The tetraradical possesses good thermal stability with decomposition onset at ∼150 °C under an inert atmosphere and exhibits reversible redox waves at −0.54 and 0.45 V versus Ag/AgCl. The magnetic properties of the tetraradical were characterized by SQUID magnetometry of polycrystalline powders and EPR spectroscopy in various matrices. The collected data, analyzed by using high‐level quantum chemical calculations, confirmed that the tetraradical has a triplet ground state and a nearby excited quintet state. The unique high stability of the prepared triazinyl‐nitronylnitroxide tetraradical is a new milestone in the field of creating high‐spin systems. [ABSTRACT FROM AUTHOR]

Published
2024
Full Text
View/download PDF

8. Interaction of 1,2,5-Chalcogenadiazole Derivatives with Thiophenolate: Hypercoordination with Formation of Interchalcogen Bond versus Reduction to Radical Anion

Author

Suturina, Elizaveta A., Semenov, Nikolay A., Lonchakov, Anton V., Bagryanskaya, Irina Yu., Gatilov, Yuri V., Irtegova, Irina G., Vasilieva, Nadezhda V., Lork, Enno, Mews, Rüdiger, Gritsan, Nina P., and Zibarev, Andrey V.

Abstract

According to the DFT calculations, [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (4), [1,2,5]selenadiazolo[3,4-c][1,2,5]thiadiazole (5), 3,4-dicyano-1,2,5-thiadiazole (6), and 3,4-dicyano-1,2,5-selenadiazole (7) have nearly the same positive electron affinity (EA). Under the CV conditions they readily produce long-lived π-delocalized radical anions (π-RAs) characterized by EPR. Whereas 4and 5were chemically reduced into the π-RAs with thiophenolate (PhS–), 6did not react and 7formed a product of hypercoordination at the Se center (9) isolated in the form of the thermally stable salt [K(18-crown-6)][9] (10). The latter type of reactivity has never been observed previously for any 1,2,5-chalcogenadiazole derivatives. The X-ray structure of salt 10revealed that the Se–S distance in the anion 9(2.722 Å) is ca. 0.5 Å longer than the sum of the covalent radii of these atoms but ca. 1 Å shorter than the sum of their van der Waals radii. According to the QTAIM and NBO analysis, the Se–S bond in 9can be considered a donor–acceptor bond whose formation leads to transfer of ca. 40% of negative charge from PhS–onto the heterocycle. For various PhS–/1,2,5-chalcogenadiazole reaction systems, thermodynamics and kinetics were theoretically studied to rationalize the interchalcogen hypercoordination vs reduction to π-RA dichotomy. It is predicted that interaction between PhS–and 3,4-dicyano-1,2,5-telluradiazole (12), whose EA slightly exceeds that of 6and 7, will lead to hypercoordinate anion (17) with the interchalcogen Te–S bond being stronger than the Se–S bond observed in anion 9.

Published
2024
Full Text
View/download PDF

9. A Nitronyl Nitroxide-Substituted Benzotriazinyl Tetraradical.

Author

Tretyakov EV, Zayakin IA, Dmitriev AA, Fedin MV, Romanenko GV, Bogomyakov AS, Akyeva AY, Syroeshkin MA, Yoshioka N, and Gritsan NP

Abstract

High-spin organic tetraradicals with significant intramolecular exchange interactions have high potential for advanced technological applications and fundamental research, but those synthesized to date possess limited stability and processability. In this work, we have designed a tetraradical based on the Blatter's radical and nitronyl nitroxide radical moieties and successfully synthesized it by using the palladium-catalyzed cross-coupling reaction of a triiodo-derivative of the 1,2,4-benzotriazinyl radical with gold(I) nitronyl nitroxide-2-ide complex in the presence of a newly developed efficient catalytic system. The molecular and crystal structure of the tetraradical was confirmed by X-ray diffraction analysis. The tetraradical possesses good thermal stability with decomposition onset at ∼150 °C under an inert atmosphere and exhibits reversible redox waves at -0.54 and 0.45 V versus Ag/AgCl. The magnetic properties of the tetraradical were characterized by SQUID magnetometry of polycrystalline powders and EPR spectroscopy in various matrices. The collected data, analyzed by using high-level quantum chemical calculations, confirmed that the tetraradical has a triplet ground state and a nearby excited quintet state. The unique high stability of the prepared triazinyl-nitronylnitroxide tetraradical is a new milestone in the field of creating high-spin systems., (© 2023 Wiley-VCH GmbH.)

Published
2024
Full Text
View/download PDF

Catalog

Books, media, physical & digital resources
See catalog results