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) Full article

Journal

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

Output data

Year: 2021, Volume: 515, Article number : 120056, Pages count : 7 DOI: 10.1016/j.ica.2020.120056

Authors

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

Affiliations

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

Submitted:	Jul 28, 2020
Accepted:	Oct 2, 2020
Published online:	Oct 6, 2020
Published print:	Jan 24, 2021

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

DB	Citing
OpenAlex	4
Scopus	3
Web of science	3