New Molecular Niobium(IV) Complexes NbX4(OPPh3)2 (X = Cl, Br): Synthesis, Crystal and Electronic Structure

被引：0
|
作者：
P. A. Poltarak
V. Yu. Komarov
S. G. Kozlova
V. A. Nadolinnyi
A. A. Poltarak
S. B. Artemkina
V. E. Fedorov
机构：
[1] Russian Academy of Sciences,Nikolaev Institute of Inorganic Chemistry, Siberian Branch
[2] Novosibirsk State University,undefined
来源：
Journal of Structural Chemistry | 2019年 / 60卷
关键词：
niobium; synthesis; crystal structure; EPR spectroscopy; chloride; bromide; triphenylphosphine oxide;
D O I：
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中图分类号：
学科分类号：
摘要：
New molecular niobium(IV) complexes NbCl4(OPPh3)2(1) and NbBr4(OPPh3)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, R1 = 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, R1 = 0.0184. The unpaired electron is mainly located on the niobium atom, which is supported by quantum chemical calculations and EPR spectroscopic results.
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页码：457 / 465
页数：8
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