Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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. и др.
в: Journal of Structural Chemistry, Том 60, № 3, 01.03.2019, стр. 457-465.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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 -
ID: 20030855