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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). / Nadolinny, Vladimir A.; Poltarak, Pavel A.; Komarovskikh, Andrey Yu et al.

In: Inorganica Chimica Acta, Vol. 515, 120056, 24.01.2021.

Research output: Contribution to journal › Article › peer-review

Harvard

Nadolinny, VA, Poltarak, PA, Komarovskikh, AY, Tumanov, SV, Samsonenko, DG, Komarov, VY, Syrokvashin, MM, Dorovatovskii, PV, Lazarenko, VA, Artemkina, SB & Fedorov, VE 2021, '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, vol. 515, 120056. https://doi.org/10.1016/j.ica.2020.120056

APA

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. (2021). 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, 515, [120056]. https://doi.org/10.1016/j.ica.2020.120056

Vancouver

Nadolinny VA, Poltarak PA, Komarovskikh AY, Tumanov SV, Samsonenko DG, Komarov VY et al. 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 Jan 24;515:120056. doi: 10.1016/j.ica.2020.120056

Author

Nadolinny, Vladimir A. ; Poltarak, Pavel A. ; Komarovskikh, Andrey Yu et al. / 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). In: Inorganica Chimica Acta. 2021 ; Vol. 515.

BibTeX

@article{0dcb22cde5dd472c97e0529540969a56,
title = "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)",
abstract = "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 {\AA}, b = 9.7287 {\AA}, c = 11.2337 {\AA}, α = 107.984°, β = 104.061°, γ = 95.500°, V = 949.24 {\AA}3; P21, a = 10.204 {\AA}, b = 16.039 {\AA}, c = 11.857 {\AA}, β = 102.663°, V = 1893.3 {\AA}3). 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.",
keywords = "d configuration, DFT calculations, EPR, Magnetic susceptibility, Niobium(IV) complex, Spin-orbital interaction, X-ray crystal structure, d(1) configuration",
author = "Nadolinny, {Vladimir A.} and Poltarak, {Pavel A.} and Komarovskikh, {Andrey Yu} and Tumanov, {Sergey V.} and Samsonenko, {Denis G.} and Komarov, {Vladislav Yu} and Syrokvashin, {Mikhail M.} and Dorovatovskii, {Pavel V.} and Lazarenko, {Vladimir A.} and Artemkina, {Sofya B.} and Fedorov, {Vladimir E.}",
year = "2021",
month = jan,
day = "24",
doi = "10.1016/j.ica.2020.120056",
language = "English",
volume = "515",
journal = "Inorganica Chimica Acta",
issn = "0020-1693",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - 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)

AU - Nadolinny, Vladimir A.

AU - Poltarak, Pavel A.

AU - Komarovskikh, Andrey Yu

AU - Tumanov, Sergey V.

AU - Samsonenko, Denis G.

AU - Komarov, Vladislav Yu

AU - Syrokvashin, Mikhail M.

AU - Dorovatovskii, Pavel V.

AU - Lazarenko, Vladimir A.

AU - Artemkina, Sofya B.

AU - Fedorov, Vladimir E.

PY - 2021/1/24

Y1 - 2021/1/24

N2 - 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.

AB - 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.

KW - d configuration

KW - DFT calculations

KW - EPR

KW - Magnetic susceptibility

KW - Niobium(IV) complex

KW - Spin-orbital interaction

KW - X-ray crystal structure

KW - d(1) configuration

UR - http://www.scopus.com/inward/record.url?scp=85092706320&partnerID=8YFLogxK

U2 - 10.1016/j.ica.2020.120056

DO - 10.1016/j.ica.2020.120056

M3 - Article

AN - SCOPUS:85092706320

VL - 515

JO - Inorganica Chimica Acta

JF - Inorganica Chimica Acta

SN - 0020-1693

M1 - 120056

ER -

ID: 25645586