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  • 1
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 33 (1995), S. S20 
    ISSN: 0749-1581
    Keywords: ESR, EPR ; C60 ; C70 ; MNDO ; INDO. MO calculations ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: EPR spectra of free-radical adducts of C60 and C70 are described and discussed. In the case of addition to C60 the prototype radical is HC60 or perhaps MuC60. The H/Mu hyperfine anomaly in these radicals is explained. The spectra of alkyl-C60 and fluoroalkyl-C60 radicals are also described, including factors determining the equilibrium configuration over the C60 surface of radicals of the general formula XYZCC60. The structure of the higher adducts R3C60 and R5C60 is mentioned. In the case of H addition to C70, four of the five possible isomers of HC70 have been identified, but only one of the 2792 isomers of H3C70 is reported.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 33 (1995), S. 312-317 
    ISSN: 0749-1581
    Keywords: tricyclohexylmethyl radical ; ESR spectra ; MNDO/UHF calculations ; NMR spectra ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ESR spectrum of the tricyclohexylmethyl radical was obtained from tricyclohexylmethyl chloride and was studied in solution in the range 275-455 K. It has a half-life of about 30 min at room temperature. The complex hyperfine structure of the radical was analysed with the help of MNDO/UHF calculations. Hyperfine interactions with three beta protons, twelve gamma protons and six delta protons were resolved. The alpha and the three beta carbon atoms are coplanar. The temperature dependence of the beta and six of the gamma proton hyperfine interactions was ascribed to torsional motions of the cyclohexyl rings about the Cα—Cβ bond. The radical has C3h symmetry, the Cα and Cβ atoms being coplanar. Evidence for the existence of hexacyclohexylethane at about 200 K was obtained for the first time.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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