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  • Calculations, ab initio  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 126 (1993), S. 2041-2045 
    ISSN: 0009-2940
    Keywords: Imidazol-2-ylidene - Borane adducts ; Calculations, ab initio ; Borane - Imidazol-2-ylidene adducts ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Imidazole Derivatives, VI[1].  -  Stable Carbene BoranesStable imidazol-2-ylidene - borane adducts 8 and 9 are obtained from 1,3,4,5-tetraalkylimidazol-2-ylidenes 7 and Me2S BH3 or Et2O BF3. An X-ray structure analysis of 8b has been performed. An ab initio calculation [MP2(fu)/6-31G**] reveals a low energy difference between two rotamers. The bond orders of the cyclic bonds imply only a minor interaction between the N - C - N and the C - C fragment.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
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