Home Berechnung der 19F- und 195 Pt-NMR-Verschiebungen von FIuoro-Chloro-Bromo-Platinaten(IV) / Calculation of 19F and 195Pt NMR Shifts of Fluoro-Chloro-Brom o-Platinates(IV )
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Berechnung der 19F- und 195 Pt-NMR-Verschiebungen von FIuoro-Chloro-Bromo-Platinaten(IV) / Calculation of 19F and 195Pt NMR Shifts of Fluoro-Chloro-Brom o-Platinates(IV )

  • H.-H. Drews and W. Preetz
Published/Copyright: June 2, 2014
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Zeitschrift für Naturforschung B
From the journal Zeitschrift für Naturforschung B Volume 52 Issue 4

By reaction of [PtBr4]2- with XeF2 in dichloromethane product mixtures containing nine fluoro-chloro-, four fluoro-bromo- and 15 fluoro-chloro-bromo-platinates(IV) are formed. All complexes are detectable by in situ l9F NMR measurements. Due to the increasing trans influence F < Cl < Br, the signals <5(19F) of symmetric F-Pt-F axes observed at highest field are shifted downfield on the average by 93 ppm as compared with δ(19F•) of F••Pt-Cl′ axes, and further to lower field by 40 ppm for <5(F••) of F••-Pt-Br″ axes. For the same reason the coupling constant 1J(F••Pt) ≈ 1099 Hz is by 13.3 % smaller than 1J(F•Pt) ≈ 1268 Hz, which is by 32.3 % smaller than δ(FPt) ≈ 1873 Hz. Based on the axis method, and taking into account characteristic increments of chemical shifts depending on cis influences, the calculation of the 195Pt NMR signals of 27 observed species of the system [PtFnCl6-n-mBrm]2- n, m = 0 - 6, has been successful. The 195Pt NMR shifts of further 29 so far not detected complexes are predicted. Using parameters depending on the geometry of the complex, the 19F NMR shifts of 28 F-containing platinates(IV) have been calculated in good agreement with the experimental data. 19F resonances are predicted for 19 so far missing complexes.

: Fluoro-Chloro-Bromo-Platinates(IV); Calculation of 19F and 195Pt NMR Shifts; trans and cis Influence
Received: 1997-1-30
Published Online: 2014-6-2
Published in Print: 1997-4-1

© 1946 – 2014: Verlag der Zeitschrift für Naturforschung

Articles in the same Issue

  1. Berechnung der 19F- und 195 Pt-NMR-Verschiebungen von FIuoro-Chloro-Bromo-Platinaten(IV) / Calculation of 19F and 195Pt NMR Shifts of Fluoro-Chloro-Brom o-Platinates(IV )
  2. ab-initio-Rechnungen, Schwingungsspektren und Normalkoordinatenanalyse von closo-[B6H5F]2– / ab initio Calculations, Vibrational Spectra, and Normal Coordinate Analysis of closo-[B6H5F]2–
  3. Elektroneutrale Pb4O4 -Heterokubaneinheiten in den Aluminatsodalithen Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm) / Electrically Neutral Pb4O4 Heterocubane Units in Aluminate Sodalites Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm)
  4. Synthese und Röntgen-Strukturuntersuchung von Rb4Cd(VO)(V2O7)2Cl und Tl4Cd(VO)(V2O7)2Cl / Synthesis and X-Ray Structure Analysis of Rb4Cd(VO)(V2O7)2Cl und Tl4Cd(VO)(V2O7)2Cl
  5. Isolierte MnCl6-Oktaeder im Oxohalogeno-Vanadat Ba5(Mg0,4Mn0,6)(V2O7)2MnCl6 / Isolated MnCl6 Octahedra in the Oxohalogeno Vanadate Ba5(Mg0,4Mn0,6)(V2O7)2MnCl6
  6. Preparation and Crystal Structures of the Ternary Compounds Ag2SiP2 and AuSiP
  7. Preparation and Crystal Structure of Hg9As4O16, a Mercury Arsenate(V) with Triangular Hg34+ Cations
  8. Metallkomplexe von Farbstoffen, VIII [1]. Ein- und zweikernige Palladium- und Platin(II)-Chelat-Komplexe mit dem Mono- und Dianion von Indigo und Indigoderivaten / Metal Complexes of Dyes, VIII [1]. Mono- and Dinuclear Palladium and Platinum (II) Chelate Complexes of the Mono- and Dianion of Indigo and Derivatives thereof
  9. π-π Interactions between Pyrylium and Phenyl Rings in the Crystal
  10. Synthese, Kristallstruktur und Eigenschaften von 1,1,3,3,3-Pentaaminol- 1-thio-1 λ5,3λ5-diphosphaz-2-en (NH2)2P(S)N=P(NH2)3 / Synthesis, Crystal Structure, and Properties of 1,1,3,3,3-Pentaam 1-thio-1 λ5,3λ5-diphosphaz-2-en (NH2)2P(S)N=P(NH2)3
  11. Synthese und Kristallstruktur von Pentakis(dimethylsulfoxid)- oxo-titan(IV)chlorid / Synthesis and Crystal Structure of Pentakis(dimethylsulfoxide)-oxo-titanium(IV) Chloride
  12. Silaheterocyclen, XXXIII [1, 2]: Cycloadditions-Reaktionen des 1.1-Dichlor-2-neopentyIsilaethens mit Pentafulvenen / Silaheterocycles, XXXIII [1, 2]: C y clo ad d itio n Reactions of 1.1-Dichloro-2 -neopentylsilene with Pentafulvenes
  13. Wechselwirkungen in Kristallen, 112 [1]. Tetra(2-pyridyl)pyrazin - ein vielseitiger Ligand für Lewis-Säuren: Halb- und doppelschalige Komplexe von Kupfer(II)- und Nickel(II)-Salzen / Interactions in Crystals, 112 [1]. Tetra(2-pyridyl)pyrazine - a Versatile Ligand for Lewis Acids: Semi- and Doubly-Encapsulated Complexes of Copper(II) and Nickel(II) Salts
  14. Wechselwirkungen in Molekülkristallen, 126 [1,2]. Die Kationen-Solvatation in solvens-umhüllten und solvens-getrennten Ionen- Multipeln von 1,2,3,4-Tetraphenylcyclopentadienyl-Natrium-Salzen / Interactions in Molecular Crystals, 126 [1,2]. The Cation Solvation in Solvent-Shared and Solvent-Separated Ion Multiples of 1,2,3,4-Tetraphenylcyclopentadienyl-Sodium Salts
  15. ab initio-Rechnungen zur Tautomerie, Acidität und Basizität von 1-MethyIpyrazolin- 2-on-5 und seinen Schwefel und Selen Analogen / ab initio Calculations of the Tautomerism, the Acidity and the Basicity of 1-Methyl- pyrazoline-2-one-5 and the Corresponding Sulphur and Selenium Analogs
  16. Synthese und Kristallstruktur von [Se3N2Cl]+SbCl6- / Synthesis and Crystal Structure of [Se3N2Cl]+SbCl6-
  17. Röntgenstrukturanalyse von zwei Verbindungen des Kupfertyps BaMLn2O5 (M = Zn, Ln = Sm, Tm) und von BaSmAIZn3O7 / X-Ray Analysis of Two Compounds of the Copper Type BaMLn2O5 (M=Zn, Ln=Sm, Tm) and of BaSmAlZn3O7
https://doi.org/10.1515/znb-1997-0401

Articles in the same Issue

  1. Berechnung der 19F- und 195 Pt-NMR-Verschiebungen von FIuoro-Chloro-Bromo-Platinaten(IV) / Calculation of 19F and 195Pt NMR Shifts of Fluoro-Chloro-Brom o-Platinates(IV )
  2. ab-initio-Rechnungen, Schwingungsspektren und Normalkoordinatenanalyse von closo-[B6H5F]2– / ab initio Calculations, Vibrational Spectra, and Normal Coordinate Analysis of closo-[B6H5F]2–
  3. Elektroneutrale Pb4O4 -Heterokubaneinheiten in den Aluminatsodalithen Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm) / Electrically Neutral Pb4O4 Heterocubane Units in Aluminate Sodalites Ln4[Al12O24](Pb4O4)2 (Ln = Nd, Sm)
  4. Synthese und Röntgen-Strukturuntersuchung von Rb4Cd(VO)(V2O7)2Cl und Tl4Cd(VO)(V2O7)2Cl / Synthesis and X-Ray Structure Analysis of Rb4Cd(VO)(V2O7)2Cl und Tl4Cd(VO)(V2O7)2Cl
  5. Isolierte MnCl6-Oktaeder im Oxohalogeno-Vanadat Ba5(Mg0,4Mn0,6)(V2O7)2MnCl6 / Isolated MnCl6 Octahedra in the Oxohalogeno Vanadate Ba5(Mg0,4Mn0,6)(V2O7)2MnCl6
  6. Preparation and Crystal Structures of the Ternary Compounds Ag2SiP2 and AuSiP
  7. Preparation and Crystal Structure of Hg9As4O16, a Mercury Arsenate(V) with Triangular Hg34+ Cations
  8. Metallkomplexe von Farbstoffen, VIII [1]. Ein- und zweikernige Palladium- und Platin(II)-Chelat-Komplexe mit dem Mono- und Dianion von Indigo und Indigoderivaten / Metal Complexes of Dyes, VIII [1]. Mono- and Dinuclear Palladium and Platinum (II) Chelate Complexes of the Mono- and Dianion of Indigo and Derivatives thereof
  9. π-π Interactions between Pyrylium and Phenyl Rings in the Crystal
  10. Synthese, Kristallstruktur und Eigenschaften von 1,1,3,3,3-Pentaaminol- 1-thio-1 λ5,3λ5-diphosphaz-2-en (NH2)2P(S)N=P(NH2)3 / Synthesis, Crystal Structure, and Properties of 1,1,3,3,3-Pentaam 1-thio-1 λ5,3λ5-diphosphaz-2-en (NH2)2P(S)N=P(NH2)3
  11. Synthese und Kristallstruktur von Pentakis(dimethylsulfoxid)- oxo-titan(IV)chlorid / Synthesis and Crystal Structure of Pentakis(dimethylsulfoxide)-oxo-titanium(IV) Chloride
  12. Silaheterocyclen, XXXIII [1, 2]: Cycloadditions-Reaktionen des 1.1-Dichlor-2-neopentyIsilaethens mit Pentafulvenen / Silaheterocycles, XXXIII [1, 2]: C y clo ad d itio n Reactions of 1.1-Dichloro-2 -neopentylsilene with Pentafulvenes
  13. Wechselwirkungen in Kristallen, 112 [1]. Tetra(2-pyridyl)pyrazin - ein vielseitiger Ligand für Lewis-Säuren: Halb- und doppelschalige Komplexe von Kupfer(II)- und Nickel(II)-Salzen / Interactions in Crystals, 112 [1]. Tetra(2-pyridyl)pyrazine - a Versatile Ligand for Lewis Acids: Semi- and Doubly-Encapsulated Complexes of Copper(II) and Nickel(II) Salts
  14. Wechselwirkungen in Molekülkristallen, 126 [1,2]. Die Kationen-Solvatation in solvens-umhüllten und solvens-getrennten Ionen- Multipeln von 1,2,3,4-Tetraphenylcyclopentadienyl-Natrium-Salzen / Interactions in Molecular Crystals, 126 [1,2]. The Cation Solvation in Solvent-Shared and Solvent-Separated Ion Multiples of 1,2,3,4-Tetraphenylcyclopentadienyl-Sodium Salts
  15. ab initio-Rechnungen zur Tautomerie, Acidität und Basizität von 1-MethyIpyrazolin- 2-on-5 und seinen Schwefel und Selen Analogen / ab initio Calculations of the Tautomerism, the Acidity and the Basicity of 1-Methyl- pyrazoline-2-one-5 and the Corresponding Sulphur and Selenium Analogs
  16. Synthese und Kristallstruktur von [Se3N2Cl]+SbCl6- / Synthesis and Crystal Structure of [Se3N2Cl]+SbCl6-
  17. Röntgenstrukturanalyse von zwei Verbindungen des Kupfertyps BaMLn2O5 (M = Zn, Ln = Sm, Tm) und von BaSmAIZn3O7 / X-Ray Analysis of Two Compounds of the Copper Type BaMLn2O5 (M=Zn, Ln=Sm, Tm) and of BaSmAlZn3O7
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