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  • 1985-1989  (2)
  • Chemical shift anisotropy  (1)
  • Polymorphism  (1)
  • 1
    ISSN: 1432-2234
    Keywords: Chemical shift anisotropy ; Highly strained compounds ; Quantum chemical calculation of shielding tensors
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The solid state 13C NMR spectra of bicyclo[1.1.0]butane and [1.1.1]propellane have been measured at low temperature. The orientation of the principal axes of the chemical shielding tensor have been determined with ab initio calculations based on the IGLO (Individual Gauge for Localized Orbitals) method when they are not determined by symmetry. Excellent agreement is obtained between the calculated and experimental principal values of the shielding tensor when basis sets containing polarization functions are used. In most cases the agreement is such that the calculated values are within the experimental error.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 24 (1986), S. 768-771 
    ISSN: 0749-1581
    Keywords: Solid-state ; 13C NMR ; Aspirin ; Drugs ; Polymorphism ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Natural abundance 13C NMR spectra of different crystal habits of pure aspirin and several aspirin tablets in the solid state have been measured by using the combined techniques of high-power decoupling, cross-polarization and magic angle spinning. Solid-state NMR of aspirin had excellent sensitivity compared with liquid-state NMR, and the carbon signals were assigned using a modified pulse sequence to detect non-protonated carbons. The solid-state 13C NMR spectra of two crystalline forms of aspirin were identical, suggesting that the origin of their difference is not polymorphic.The solid-state 13C NMR spectra of several commercial aspirin tablets, some of them containing buffer components, indicated that there were no interactions among the aspirin and the buffer components; only after dissolving the tablets and lyophilization did the 13C NMR spectra of the dry lyophilized powders show strong interactions between aspirin and the buffer components.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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