New Molecular Niobium(IV) Complexes NbX                         
                        4
                                                 (OPPh                         
                        3
                                                 )                         
                        2
                                                  (X = Cl, Br): Synthesis, Crystal and Electronic Structure

P. A. Poltarak; V. Yu Komarov; S. G. Kozlova; V. A. Nadolinnyi; A. A. Poltarak; S. B. Artemkina; V. E. Fedorov

doi:10.1134/S0022476619030144

New Molecular Niobium(IV) Complexes NbX ₄ (OPPh ₃ ) ₂ (X = Cl, Br): Synthesis, Crystal and Electronic Structure

P. A. Poltarak, V. Yu Komarov, S. G. Kozlova, V. A. Nadolinnyi, A. A. Poltarak, S. B. Artemkina, V. E. Fedorov

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

1 Цитирования (Scopus)

Аннотация

New molecular niobium(IV) complexes NbCl ₄ (OPPh ₃ ) ₂ (1) and NbBr ₄ (OPPh ₃ ) ₂ (2) are synthesized by heating respective niobium pentahalide with a mixture of triphenylphosphine and triphenylphosphine oxide. For the obtained compounds the crystal structure is solved: 1P-1, a = 13.3540(5) Å, b = 9.4461(3) Å, c = 9.5635(3) Å, α = 93.084(1)°, β = 121.263(1)°, γ = 115.058(1)°, Z = 1, R ₁ = 0.0194; 2P-1, a = 13.308(2) Å, b = 9.5934(8) Å, c = 9.5556(9) Å, α = 93.975(3),°, β = 119.391(4)°, γ = 114.740(4)°, Z = 1, R ₁ = 0.0184. The unpaired electron is mainly located on the niobium atom, which is supported by quantum chemical calculations and EPR spectroscopic results.

Язык оригинала	английский
Страницы (с-по)	457-465
Число страниц	9
Журнал	Journal of Structural Chemistry
Том	60
Номер выпуска	3
DOI	https://doi.org/10.1134/S0022476619030144
Состояние	Опубликовано - 1 мар 2019

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10.1134/S0022476619030144

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Poltarak, P. A., Komarov, V. Y., Kozlova, S. G., Nadolinnyi, V. A., Poltarak, A. A., Artemkina, S. B., & Fedorov, V. E. (2019). New Molecular Niobium(IV) Complexes NbX ₄ (OPPh ₃ ) ₂ (X = Cl, Br): Synthesis, Crystal and Electronic Structure. Journal of Structural Chemistry, 60(3), 457-465. https://doi.org/10.1134/S0022476619030144

Poltarak, P. A. ; Komarov, V. Yu ; Kozlova, S. G. ; Nadolinnyi, V. A. ; Poltarak, A. A. ; Artemkina, S. B. ; Fedorov, V. E. / New Molecular Niobium(IV) Complexes NbX ₄ (OPPh ₃ ) ₂ (X = Cl, Br) : Synthesis, Crystal and Electronic Structure. В: Journal of Structural Chemistry. 2019 ; Том 60, № 3. стр. 457-465.

@article{d8a621f5c65b41daa1bee93b7e54206b,

title = "New Molecular Niobium(IV) Complexes NbX 4 (OPPh 3 ) 2 (X = Cl, Br): Synthesis, Crystal and Electronic Structure",

abstract = " New molecular niobium(IV) complexes NbCl 4 (OPPh 3 ) 2 (1) and NbBr 4 (OPPh 3 ) 2 (2) are synthesized by heating respective niobium pentahalide with a mixture of triphenylphosphine and triphenylphosphine oxide. For the obtained compounds the crystal structure is solved: 1P-1, a = 13.3540(5) {\AA}, b = 9.4461(3) {\AA}, c = 9.5635(3) {\AA}, α = 93.084(1)°, β = 121.263(1)°, γ = 115.058(1)°, Z = 1, R 1 = 0.0194; 2P-1, a = 13.308(2) {\AA}, b = 9.5934(8) {\AA}, c = 9.5556(9) {\AA}, α = 93.975(3),°, β = 119.391(4)°, γ = 114.740(4)°, Z = 1, R 1 = 0.0184. The unpaired electron is mainly located on the niobium atom, which is supported by quantum chemical calculations and EPR spectroscopic results. ",

keywords = "bromide, chloride, crystal structure, EPR spectroscopy, niobium, synthesis, triphenylphosphine oxide, TRANSITION-METAL DERIVATIVES, ORDER REGULAR APPROXIMATION, SPECTRA",

author = "Poltarak, {P. A.} and Komarov, {V. Yu} and Kozlova, {S. G.} and Nadolinnyi, {V. A.} and Poltarak, {A. A.} and Artemkina, {S. B.} and Fedorov, {V. E.}",

year = "2019",

month = mar,

day = "1",

doi = "10.1134/S0022476619030144",

language = "English",

volume = "60",

pages = "457--465",

journal = "Journal of Structural Chemistry",

issn = "0022-4766",

publisher = "Springer GmbH & Co, Auslieferungs-Gesellschaf",

number = "3",

}

Poltarak, PA , Komarov, VY , Kozlova, SG, Nadolinnyi, VA, Poltarak, AA, Artemkina, SB & Fedorov, VE 2019, 'New Molecular Niobium(IV) Complexes NbX ₄ (OPPh ₃ ) ₂ (X = Cl, Br): Synthesis, Crystal and Electronic Structure', Journal of Structural Chemistry, том. 60, № 3, стр. 457-465. https://doi.org/10.1134/S0022476619030144

New Molecular Niobium(IV) Complexes NbX ₄ (OPPh ₃ ) ₂ (X = Cl, Br) : Synthesis, Crystal and Electronic Structure. / Poltarak, P. A.; Komarov, V. Yu ; Kozlova, S. G.; Nadolinnyi, V. A.; Poltarak, A. A.; Artemkina, S. B.; Fedorov, V. E.

В: Journal of Structural Chemistry, Том 60, № 3, 01.03.2019, стр. 457-465.

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

TY - JOUR

T1 - New Molecular Niobium(IV) Complexes NbX 4 (OPPh 3 ) 2 (X = Cl, Br)

T2 - Synthesis, Crystal and Electronic Structure

AU - Poltarak, P. A.

AU - Komarov, V. Yu

AU - Kozlova, S. G.

AU - Nadolinnyi, V. A.

AU - Poltarak, A. A.

AU - Artemkina, S. B.

AU - Fedorov, V. E.

PY - 2019/3/1

Y1 - 2019/3/1

N2 - New molecular niobium(IV) complexes NbCl 4 (OPPh 3 ) 2 (1) and NbBr 4 (OPPh 3 ) 2 (2) are synthesized by heating respective niobium pentahalide with a mixture of triphenylphosphine and triphenylphosphine oxide. For the obtained compounds the crystal structure is solved: 1P-1, a = 13.3540(5) Å, b = 9.4461(3) Å, c = 9.5635(3) Å, α = 93.084(1)°, β = 121.263(1)°, γ = 115.058(1)°, Z = 1, R 1 = 0.0194; 2P-1, a = 13.308(2) Å, b = 9.5934(8) Å, c = 9.5556(9) Å, α = 93.975(3),°, β = 119.391(4)°, γ = 114.740(4)°, Z = 1, R 1 = 0.0184. The unpaired electron is mainly located on the niobium atom, which is supported by quantum chemical calculations and EPR spectroscopic results.

AB - New molecular niobium(IV) complexes NbCl 4 (OPPh 3 ) 2 (1) and NbBr 4 (OPPh 3 ) 2 (2) are synthesized by heating respective niobium pentahalide with a mixture of triphenylphosphine and triphenylphosphine oxide. For the obtained compounds the crystal structure is solved: 1P-1, a = 13.3540(5) Å, b = 9.4461(3) Å, c = 9.5635(3) Å, α = 93.084(1)°, β = 121.263(1)°, γ = 115.058(1)°, Z = 1, R 1 = 0.0194; 2P-1, a = 13.308(2) Å, b = 9.5934(8) Å, c = 9.5556(9) Å, α = 93.975(3),°, β = 119.391(4)°, γ = 114.740(4)°, Z = 1, R 1 = 0.0184. The unpaired electron is mainly located on the niobium atom, which is supported by quantum chemical calculations and EPR spectroscopic results.

KW - bromide

KW - chloride

KW - crystal structure

KW - EPR spectroscopy

KW - niobium

KW - synthesis

KW - triphenylphosphine oxide

KW - TRANSITION-METAL DERIVATIVES

KW - ORDER REGULAR APPROXIMATION

KW - SPECTRA

UR - http://www.scopus.com/inward/record.url?scp=85065421898&partnerID=8YFLogxK

U2 - 10.1134/S0022476619030144

DO - 10.1134/S0022476619030144

M3 - Article

AN - SCOPUS:85065421898

VL - 60

SP - 457

EP - 465

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 3

ER -

Poltarak PA , Komarov VY , Kozlova SG, Nadolinnyi VA, Poltarak AA, Artemkina SB и соавт. New Molecular Niobium(IV) Complexes NbX ₄ (OPPh ₃ ) ₂ (X = Cl, Br): Synthesis, Crystal and Electronic Structure. Journal of Structural Chemistry. 2019 Март 1;60(3):457-465. https://doi.org/10.1134/S0022476619030144