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  • Analytical Chemistry and Spectroscopy  (2)
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  • 1
    Digitale Medien
    Digitale Medien
    Calculation of 1H chemical shifts of [n]annuleno[m]annulenes and [n]annulenyl[m]annulenes (1979)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 12 (1979), S. 306-312 
    Details
    ISSN: 0030-4921
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The ring current and local anisotropic contributions to the 1H chemical shifts of [n]annuleno[m]annulenes and [n]annulenyl[m]annulenes with n, m = 12, 14, 18 and n, m = 13, 15 are calculated. The agreement between experimental and calculated shifts for the few known compounds is very good so that the predictions for the as yet unknown compounds are reliable. The effect of an annulene ring on the shifts of the protons at the other ring in these bicyclic compounds is discussed for several types of fusion of the two constituent annulenes.
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/mrc.1270120512
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  • 2
    Digitale Medien
    Digitale Medien
    Calculation of 1H chemical shifts of conjugated alternant hydrocarbons with (4m) rings (1985)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 23 (1985), S. 1040-1044 
    Details
    ISSN: 0749-1581
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The 1H chemical shifts of the polycyclic alternant hydrocarbons bicyclo[6.2.0]decapentaene, cycloocta[def]biphenylene, dicycloocta[1,2,3,4-def: 1′,2′,3′,4′-jkl]biphenylene and cycloocta[1,2,3,4-def]benzo[3,4]cyclobuta[6,7]biphenylene, which contain an 8-membered ring, are calculated by means of a semi-empirical approach. The agreement between experimental and calculated shifts is good if geometries are determined by a self-consistent resonance integral, or even better by a π-SCF force field procedure. Predictions are made for the as yet unknown dianions of these hydrocarbons.
    Zusätzliches Material: 3 Tab.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/mrc.1260231205
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