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 -