The Experts below are selected from a list of 33 Experts worldwide ranked by ideXlab platform
Marcus Warchhold - One of the best experts on this subject based on the ideXlab platform.
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synthesis and characterization of the Phosphorus Halide boron Halide complexes x3pby3 x cl br i y br i by 31p mas nmr ir and raman spectroscopy and the crystal structure of br3pbbr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
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Synthesis and Characterization of the Phosphorus Halide−Boron Halide Complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) by 31P MAS NMR, IR, and Raman Spectroscopy and the Crystal Structure of Br3PBBr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
Christoph Aubauer - One of the best experts on this subject based on the ideXlab platform.
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on the bonding structure and thermodynamics of Phosphorus Halide boron Halide complexes x 3 p by 3 x y cl br i
Journal of Molecular Structure-theochem, 2001Co-Authors: Christoph Aubauer, Thomas M Klapotke, A SchulzAbstract:Abstract Donor–acceptor complexes X 3 P·BY 3 (X, Y=Cl, Br, I) and their fragments have been studied using density functional (B3LYP) and ab initio methods (MP2, CCSD(T)) with effective core potentials. The bonding, charge transfer and structure of all X 3 P·BY 3 is discussed on the basis of natural bond orbital (NBO) analysis. The estimated free molecular enthalpies of dissociation indicate that all X 3 P·BY 3 represent thermodynamically labile species which are stabilized by the lattice energies in the solid state. The total distortion energy increases in accordance with the decreasing complex dissociation enthalpy. With regard to halogen exchange between the PX 3 and BY 3 moiety in X 3 P·BY 3 (g) adducts, only the complexes where Y=X and where X represents a heavier halogen than Y are thermodynamically stable.
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On the bonding, structure and thermodynamics of Phosphorus Halide boron Halide complexes X 3 P·BY 3 (X, Y=Cl, Br, I)
Journal of Molecular Structure-theochem, 2001Co-Authors: Christoph Aubauer, Thomas M Klapotke, A SchulzAbstract:Abstract Donor–acceptor complexes X 3 P·BY 3 (X, Y=Cl, Br, I) and their fragments have been studied using density functional (B3LYP) and ab initio methods (MP2, CCSD(T)) with effective core potentials. The bonding, charge transfer and structure of all X 3 P·BY 3 is discussed on the basis of natural bond orbital (NBO) analysis. The estimated free molecular enthalpies of dissociation indicate that all X 3 P·BY 3 represent thermodynamically labile species which are stabilized by the lattice energies in the solid state. The total distortion energy increases in accordance with the decreasing complex dissociation enthalpy. With regard to halogen exchange between the PX 3 and BY 3 moiety in X 3 P·BY 3 (g) adducts, only the complexes where Y=X and where X represents a heavier halogen than Y are thermodynamically stable.
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synthesis and characterization of the Phosphorus Halide boron Halide complexes x3pby3 x cl br i y br i by 31p mas nmr ir and raman spectroscopy and the crystal structure of br3pbbr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
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Synthesis and Characterization of the Phosphorus Halide−Boron Halide Complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) by 31P MAS NMR, IR, and Raman Spectroscopy and the Crystal Structure of Br3PBBr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
Heinrich Noth - One of the best experts on this subject based on the ideXlab platform.
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synthesis and characterization of the Phosphorus Halide boron Halide complexes x3pby3 x cl br i y br i by 31p mas nmr ir and raman spectroscopy and the crystal structure of br3pbbr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
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Synthesis and Characterization of the Phosphorus Halide−Boron Halide Complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) by 31P MAS NMR, IR, and Raman Spectroscopy and the Crystal Structure of Br3PBBr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
Axel Schulz - One of the best experts on this subject based on the ideXlab platform.
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synthesis and characterization of the Phosphorus Halide boron Halide complexes x3pby3 x cl br i y br i by 31p mas nmr ir and raman spectroscopy and the crystal structure of br3pbbr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
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Synthesis and Characterization of the Phosphorus Halide−Boron Halide Complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) by 31P MAS NMR, IR, and Raman Spectroscopy and the Crystal Structure of Br3PBBr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
Gunter Engelhardt - One of the best experts on this subject based on the ideXlab platform.
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synthesis and characterization of the Phosphorus Halide boron Halide complexes x3pby3 x cl br i y br i by 31p mas nmr ir and raman spectroscopy and the crystal structure of br3pbbr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.
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Synthesis and Characterization of the Phosphorus Halide−Boron Halide Complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) by 31P MAS NMR, IR, and Raman Spectroscopy and the Crystal Structure of Br3PBBr3
European Journal of Inorganic Chemistry, 2000Co-Authors: Christoph Aubauer, Heinrich Noth, Axel Schulz, Gunter Engelhardt, Thomas M Klapotke, Marcus WarchholdAbstract:The Phosphorus Halide−boron Halide complexes X3PBY3 (X = Cl, Br, I; Y = Br, I) were prepared and characterized by Raman and IR spectroscopy. Density functional theory (B3LYP) was applied to calculate structural and vibrational data. Assignments of the vibrational normal modes for these Lewis acid−base adducts were made on the basis of their Raman and IR spectra in comparison with computational results. The compounds Cl3PBBr3, Br3PBBr3, I3PBBr3, and I3PBI3 were also studied by solid-state 31P MAS NMR spectroscopy. Second-order 31P−79,81Br dipolar coupling effects were observed in the 31P MAS NMR spectrum of Br3PBBr3. The molecular structure of Br3PBBr3 was determined by X-ray diffraction.