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  • 1
    Electronic Resource
    Electronic Resource
    Evaluation of limiting-induced shifts of disubstituted adamantane derivatives on the basis of shift additivity (1975)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 7 (1975), S. 529-531 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A quantitative interpretation of 1H NMR spectra of symmetrically disubstituted adamantane derivatives (2,4-adamantanedione, 2,6-adamantanedione and 2,4-adamantanetdiol) with shift reagents is reported. Assumptions are made of shift additivity and an average coordination of one molecule of the shift reagent to both functional groups. A much better fit between the experimental and the calculated set of limiting-induced shifts was obtained for calculations based on shift additivity.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270071102
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Use of lanthanide shift reagents for the determination of the alkyl conformation in 2-alkyl-2-adamantanols (1977)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 10 (1977), S. 52-55 
    Details
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The position of the lanthanide atom calculated from the pseudocontact shift equation was studied for 2-adamantanol and 2-methyl-, 2-ethyl-, 2-propyl-, 2-butyl-2-adamantanol. The possible methods of calculation considering rotation of the methyl group were ascertained in the case of 2-methyl- and 2-ethyl-2-adamantanol. It follows from these results that a 2-alkyl group affects the effective position of the lanthanide atom. The conformational analysis of 2-ethyl-2-adamantanol demonstrates a difference among conformations obtained with various shift reagents. A comparison with extended Huckel theory calculations shows that the shift reagent method can be used only for a qualitative determination of the most advantageous conformation of the ethyl group.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1270100115
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
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