A polynuclear yttrium trifluoroethoxide was synthesized and its activity for the oligomerization of phenyl isocyanate was tested. Reaction of anhydrous YC13 with CF3CH2ONa in a 1 ： 3 molar ratio in THF at room temper...A polynuclear yttrium trifluoroethoxide was synthesized and its activity for the oligomerization of phenyl isocyanate was tested. Reaction of anhydrous YC13 with CF3CH2ONa in a 1 ： 3 molar ratio in THF at room temperature, after workup, gave complex 1 as colorless crystals. The composition of complex 1 is [Y（OCH2CF3）3]6ONa2（THF）12, which was identified by elemental analysis and ^1H NMR. Further X-ray structure determination reveals that complex 1 is a polynuclear ion pair compound, [Y6（μ6-O）（OCH2CF3）18]^2- [Na（THF）6]2＋ （1）. The crystal data of complex 1 are trigonal, P-3 space group, a = 1.78440（14） nm, b = 1.78440（14） nm, c = 1.27395（12） nm, γ= 120°, V=3.5129（5） nm^3, Z = 1, Dc = 1.607 mg·m^-3, μ = 2.591 mm^- 1（Mo Ka）, F（000） = 1710, R = 0.067, wR = 0. 182. Preliminary results demonstrated that complex 1 is a highly effective catalyst for the oligomerization of phenyl isocyanate.展开更多
Four alkoxo complexes [Cp 2Mo(PMe 3)OR] +OTs -(R=Me, Et, Pr n , Pr i ) were synthesized and characterized by IR, 1H NMR and elemental analysis. The β hydrogen elimination of these complexes in dimethyl sulfoxide gave...Four alkoxo complexes [Cp 2Mo(PMe 3)OR] +OTs -(R=Me, Et, Pr n , Pr i ) were synthesized and characterized by IR, 1H NMR and elemental analysis. The β hydrogen elimination of these complexes in dimethyl sulfoxide gave monohydrido complex [Cp 2Mo(PMe 3)H] +OTs - and a ketone or aldehyde.展开更多
The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of...The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm (Cu-O(ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°. The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms. Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807.展开更多
Four alkoxo tungsten complexes [Cp 2W(PMe 3)OR] +OTs -(R=Me,Et, n Pr, i Pr) and monohydrido tungsten complex [Cp 2W(H)(PMe 3)] +OTs - were synthesized and characterized by IR, 1H NMR and elemental analysis. The β eli...Four alkoxo tungsten complexes [Cp 2W(PMe 3)OR] +OTs -(R=Me,Et, n Pr, i Pr) and monohydrido tungsten complex [Cp 2W(H)(PMe 3)] +OTs - were synthesized and characterized by IR, 1H NMR and elemental analysis. The β elimination of these complexes in dimethyl sulfoxide solvent yields monohydrido tungsten complex [Cp 2W(H)(PMe 3)] +OTs - and a ketone or aldehyde.展开更多
基金Project supported bythe National Natural Science Foundation of China (20472063)
文摘A polynuclear yttrium trifluoroethoxide was synthesized and its activity for the oligomerization of phenyl isocyanate was tested. Reaction of anhydrous YC13 with CF3CH2ONa in a 1 ： 3 molar ratio in THF at room temperature, after workup, gave complex 1 as colorless crystals. The composition of complex 1 is [Y（OCH2CF3）3]6ONa2（THF）12, which was identified by elemental analysis and ^1H NMR. Further X-ray structure determination reveals that complex 1 is a polynuclear ion pair compound, [Y6（μ6-O）（OCH2CF3）18]^2- [Na（THF）6]2＋ （1）. The crystal data of complex 1 are trigonal, P-3 space group, a = 1.78440（14） nm, b = 1.78440（14） nm, c = 1.27395（12） nm, γ= 120°, V=3.5129（5） nm^3, Z = 1, Dc = 1.607 mg·m^-3, μ = 2.591 mm^- 1（Mo Ka）, F（000） = 1710, R = 0.067, wR = 0. 182. Preliminary results demonstrated that complex 1 is a highly effective catalyst for the oligomerization of phenyl isocyanate.
文摘Four alkoxo complexes [Cp 2Mo(PMe 3)OR] +OTs -(R=Me, Et, Pr n , Pr i ) were synthesized and characterized by IR, 1H NMR and elemental analysis. The β hydrogen elimination of these complexes in dimethyl sulfoxide gave monohydrido complex [Cp 2Mo(PMe 3)H] +OTs - and a ketone or aldehyde.
文摘The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm (Cu-O(ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°. The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms. Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807.
文摘Four alkoxo tungsten complexes [Cp 2W(PMe 3)OR] +OTs -(R=Me,Et, n Pr, i Pr) and monohydrido tungsten complex [Cp 2W(H)(PMe 3)] +OTs - were synthesized and characterized by IR, 1H NMR and elemental analysis. The β elimination of these complexes in dimethyl sulfoxide solvent yields monohydrido tungsten complex [Cp 2W(H)(PMe 3)] +OTs - and a ketone or aldehyde.
