Ferromagnetically Coupled S=1 Chains in Crystals of Verdazyl-Nitronyl Nitroxide Diradicals

Ferromagnetically Coupled S=1 Chains in Crystals of Verdazyl-Nitronyl Nitroxide Diradicals Научная публикация

Журнал

Angewandte Chemie - International Edition
ISSN: 1433-7851 , E-ISSN: 1521-3773

Вых. Данные

Год: 2020, Том: 59, Номер: 46, Страницы: 20704-20710 Страниц : 7 DOI: 10.1002/anie.202010041

Ключевые слова

BS-DFT and high level calculations; ferromagnetic chain; high-spin molecules; nitroxides; triplet diradicals

Авторы

Tretyakov E.V. ^1,2 , Zhivetyeva S.I. ¹ , Petunin P.V. ³ , Gorbunov D.E. ^2,4 , Gritsan N.P. ^2,4 , Bagryanskaya I.Y. ^1,2 , Bogomyakov A.S. ⁵ , Postnikov P.S. ^3,6 , Kazantsev M.S. ^1,2 , Trusova M.E. ³ , Shundrina I.K. ¹ , Zaytseva E.V. ^1,2 , Parkhomenko D.A. ^1,2 , Bagryanskaya E.G. ^1,2 , Ovcharenko V.I. ⁵

Организации

1	(Scopus) N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry, 9 Ac. Lavrentiev Avenue, Novosibirsk, 630090, Russian Federation
2	(Scopus) Novosibirsk State University, 2 Pirogova Str., Novosibirsk, 630090, Russian Federation
3	(Scopus) Research School of Chemistry & Applied Biomedical Sciences, Tomsk Polytechnic University, 30 Lenin Avenue, Tomsk, 634050, Russian Federation
4	(Scopus) Voevodsky Institute of Chemical Kinetics and Combustions, 3 Institutskaya Str., Novosibirsk, 630090, Russian Federation
5	(Scopus) International Tomography Center, 3a Institutskaya Str., Novosibirsk, 630090, Russian Federation
6	(Scopus) University of Chemistry and Technology, 3 Technicka, Prague, 16628, Czech Republic

Thermally stable organic diradicals with a triplet ground state along with large singlet-triplet energy gap have significant potential for advanced technological applications. A series of phenylene-bridged diradicals with oxoverdazyl and nitronyl nitroxide units were synthesized via a palladium-catalyzed cross-coupling reaction of iodoverdazyls with a nitronyl nitroxide-2-ide gold(I) complex with high yields. The diradicals exhibit high stability and do not decompose in an inert atmosphere up to 180 °C. For the diradicals, both substantial AF (ΔEST≈−64 cm−1) and FM (ΔEST≥25 and 100 cm−1) intramolecular exchange interactions were observed. The sign of the exchange interaction is determined both by the bridging moiety (para- or meta-phenylene) and by the type of oxoverdazyl block (C-linked or N-linked). Upon crystallization, diradicals with the triplet ground state form unique one-dimensional exchange-coupled chains with strong intra- and weak inter-diradical ferromagnetic coupling. © 2020 Wiley-VCH GmbH

Tretyakov E.V. , Zhivetyeva S.I. , Petunin P.V. , Gorbunov D.E. , Gritsan N.P. , Bagryanskaya I.Y. , Bogomyakov A.S. , Postnikov P.S. , Kazantsev M.S. , Trusova M.E. , Shundrina I.K. , Zaytseva E.V. , Parkhomenko D.A. , Bagryanskaya E.G. , Ovcharenko V.I.
Ferromagnetically Coupled S=1 Chains in Crystals of Verdazyl-Nitronyl Nitroxide Diradicals
Angewandte Chemie - International Edition. 2020. V.59. N46. P.20704-20710. DOI: 10.1002/anie.202010041 WOS Scopus РИНЦ

Опубликована online:	15 окт. 2020 г.
Опубликована в печати:	9 нояб. 2020 г.

Web of science	WOS:000577702600001
Scopus	2-s2.0-85092590958
РИНЦ	45227200
OpenAlex	W3043952644