Effect of the spin-orbit interaction of ligands on the parameters of EPR spectra for a series of niobium(IV) complexes of trans-[NbX4(OPPh3)2] (X = Cl, Br, I)

Effect of the spin-orbit interaction of ligands on the parameters of EPR spectra for a series of niobium(IV) complexes of trans-[NbX4(OPPh3)2] (X = Cl, Br, I) Научная публикация

Журнал

Inorganica Chimica Acta
ISSN: 1873-3255 , E-ISSN: 0020-1693

Вых. Данные

Год: 2021, Том: 515, Номер статьи : 120056, Страниц : 7 DOI: 10.1016/j.ica.2020.120056

Авторы

Nadolinny Vladimir A. ¹ , Poltarak Pavel A. ^1,3 , Komarovskikh Andrey Yu. ¹ , Tumanov Sergey V. ² , Samsonenko Denis G. ^1,3 , Komarov Vladislav Yu. ¹ , Syrokvashin Mikhail M. ¹ , Dorovatovskii Pavel V. ⁴ , Lazarenko Vladimir A. ⁴ , Artemkina Sofya B. ^1,3 , Fedorov Vladimir E. ¹

Организации

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch of Russian Academy of Sciences, 3, Akad. Lavrentiev Ave, 630090 Novosibirsk, Russia
2	International Tomography Center, Siberian Branch of Russian Academy of Sciences, 3a, Institutskaya st., 630090 Novosibirsk, Russia
3	Novosibirsk State University, 1, Pirogova str., 630090 Novosibirsk, Russia
4	National Research Centre “Kurchatov Institute”, 1, Akademika Kurchatova pl., Moscow 123182, Russia

Two crystal modifications of new molecular niobium(IV) complex trans-NbI4(OPPh3)2 were obtained by ampoule synthesis, and their X-ray crystal structures were solved (P-1, a = 9.5795 Å, b = 9.7287 Å, c = 11.2337 Å, α = 107.984°, β = 104.061°, γ = 95.500°, V = 949.24 Å3; P21, a = 10.204 Å, b = 16.039 Å, c = 11.857 Å, β = 102.663°, V = 1893.3 Å3). For the series of molecular complexes trans-NbX4(OPPh3)2 (X = Cl, Br, I) magnetic properties were studied and systematized using EPR, magnetic susceptibility measurements, and theory calculations with DFT approximation. Theory calculations of EPR parameters have shown good accordance with experimental data and allowed to establish a negative sign of the principal hyperfine tensor values.

Nadolinny V.A. , Poltarak P.A. , Komarovskikh A.Y. , Tumanov S.V. , Samsonenko D.G. , Komarov V.Y. , Syrokvashin M.M. , Dorovatovskii P.V. , Lazarenko V.A. , Artemkina S.B. , Fedorov V.E.
Effect of the spin-orbit interaction of ligands on the parameters of EPR spectra for a series of niobium(IV) complexes of trans-[NbX4(OPPh3)2] (X = Cl, Br, I)
Inorganica Chimica Acta. 2021. V.515. 120056 :1-7. DOI: 10.1016/j.ica.2020.120056 WOS Scopus OpenAlex

Поступила в редакцию:	28 июл. 2020 г.
Принята к публикации:	2 окт. 2020 г.
Опубликована online:	6 окт. 2020 г.
Опубликована в печати:	24 янв. 2021 г.

Web of science:	WOS:000598175200008
Scopus:	2-s2.0-85092706320
OpenAlex:	W3092463072

БД	Цитирований
OpenAlex	4
Scopus	3
Web of science	3