Borane und Silane - Unbekannte Spin-Spin-Kopplungskonstanten - Messung und Berechnung

• Applicant: Professor Dr. Bernd Wrackmeyer (†)
• Subject Area: Inorganic Molecular Chemistry - Synthesis and Characterisation
• Term: from 2004 to 2009
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 5434413

• Final Report Year: 2009

Final Report Abstract

No abstract available

Publications

• Heteroatom Chem. 16 (2005) 84-91. Bis(trimethylsilyl)diazene Revisited. Density Functional Theory (DFT) Calculations of Nitrogen NMR Parameters of Some Azo-Compounds
  B. Wrackmeyer, C. Köhler
  
• Inorg. Chem. 44 (2005) 5826- 5832 The First Examples of Parent Di- and Triphosphacarboranes: Isolation of the nido Phosphacarboranes 7.8,9-P2CB8Hio, [7,8,9-P2CB8H9]". [7,8,10-P2CB8H9]", and 7,8,9,10- P3CB7H8
  M.Bakardjiev, J. Holub, B. Stibr, D. Hnyk, B. Wrackmeyer
  
• Struct. Chem. 16 (2005) 67-71. Indirect Nuclear 77Se-77Se Spin-Spin Coupling Constants. Application of Density Functional Theory (DFT) Calculations
  B. Wrackmeyer
  
• Z Naturforsch. 60b (2005) 259-264. Hyperconjugation in Trialkylboranes Shown by Indirect Nuclear Spin-Spin Coupling Constants. Experimental Data and Density Functional Theory (DFT) Calculations
  B. Wrackmeyer, O.L. Tok
  
• Z. Naturforsch. 60b (2005) 955-961. The Five-, Six- and Seven-Vertex Dicarbaboranes, Monocarbaborane Anions and Borane Dianions with closo Structures. Nuclear Spin-Spin Coupling Constants Calculated by DFT Methods
  B. Wrackmeyer
  
• Annu. Rep. NMR Spectrosc. 57 (2006) 1-49. Applications of 29Si NMR Parameters
  B. Wrackmeyer
  
• Struct. Chem. 17 {2006) 79-83. Experimental and Calculated NMR Parameters of the Tetrahedrane [Fe2(CO)6(M-SNH)] Studied by DFT Methods
  B. Wrackmeyer, M. Herberhold
  
• Z Naturforsch. 61b (2006) 949-955. Indirect Nuclear-Spin-Spin Coupling Constants 1J(17O,11B). First Observation and Calculation Using" Density Functional Theory (DFT)
  B. Wrackmeyer, O.L. Tok
  
• Appl. Organomet. Chem. 21(2007)108-116. Diselenastanna-, -sila- and -carbacycles with an Annelated Dicarba-closo-dodecaborane(12) Unit
  B. Wrackmeyer, Z. Garcia Hernandez, R. Kempe, M. Herberhold
  
• Magn. Reson. Chem. 45 (2007) 198-204. 1-Cyclohepta-2,4,6-trienyl-selanes - a77Se NMR Study, indirect Nuclear 77Se-13C Spin-Spin Coupling Constants and Application of Density Functional Theory (DFT) Calculations
  B. Wrackmeyer, Z. Garcia Hernandez, M. Herberhold
  
• Z Naturfosch. 62b (2007) 220-224. Spin-Spin Coupling Constants 1J( 15N , 11B ) in Boron-Nitrogen Compounds. Experimental Data and DFT Calculations
  B. Wrackmeyer, O.L. Tok
  
• Z Naturforsch. 63b (2008) 923-928. Spin-Spin Coupling Constants 1J( 27AI, 13C ) and 1J(13C,11B) in Comparable Organoaluminum and Boron Compounds: NMR Spectroscopy of Lithium Tetra(fe/t-butyl)alanate
  B. Wrackmeyer, E.V. Klimkina
  
• Z Anorg. Allg. Chem. 635 (2009) 1087-1093 1,2-,1,7- and 1,12-Dicarba-closo-dodecaborane(12) Derivatives Revisited by 13C NMR Spectroscopy and DFT Calculations. First Observation of Isotope-Induced Chemical Shifts 1^10/11 B(13C), and the Signs and Magnitudes of Coupling Constants 1J(13C, 13C) and 1J(13C, 11B)
  B. Wrackrneyer, Z. Garcia Hernandez, J. Lang, O.L. Tok
  
• Z Naturforsch. 64b (2009) 41-46. 69/71Ga and 115In NMR Spectroscopy of Lithium Tetra(te/t-butyl)gallate and -indate. Spin-Spin Coupling-Constants 1J(69/71Ga,13C) and 1j(115In,13C)
  B. Wrackmeyer, E.V. Klimkina