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  • 1
    ISSN: 0947-6539
    Keywords: ab initio calculations ; alkynes ; carbon allotropes ; electronic structure ; semiempirical calculations ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The synthesis, isolation, spectroscopic characterization, and computational investigations of the rod-shaped dicyanopolyynes 1-6 (C2nN2, n = 4-9), which are model substances for the hypothetical one-dimensional carbon allotrope carbyne sp-C∞, are described. Based on the trends in the spectroscopic behavior of 1-6 with increasing chain length, the electronic as well as the NMR properties of carbyne are predicted. For the investigation of the synthetic potential of this compound class, a first selected series of regioselective derivatizations is presented with the synthesis of the [4+2] and [3+2] cycloadducts 7-12.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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