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
URL:
http://dx.doi.org/10.1002/chem.19970030718
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