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  • 1
    Electronic Resource
    Electronic Resource
    An EPR study of the thermal decomposition of molten 2,4,6-trinitrotoluene and its isotopic analogs (1986)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 24 (1986), S. 762-767 
    Details
    ISSN: 0749-1581
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Electron paramagnetic resonance spectroscopy has been used to probe the decomposition pathway of neat molten 2,4,6-trinitrotoluene (TNT). The analogs of TNT labelled in the 2-, 2,6-, 4- and 2,4,6-positions with 15N, and labelled in the α-, 3,5- and α,3,5-position with 2H have been studied, and their spectra recorded at 240°C. The results indicate that the earliest observable radical produces a spectrum resulting from coupling with a para-N (aN = 10.8G), five equivalent hydrogens (aH = 2.7G) and two benzylic hydrogens (aH = 10.7G).
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260240906
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Carbon-13 NMR relaxation studies of gluconate and manganese - gluconate interactions (1988)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 26 (1988), S. 591-594 
    Details
    ISSN: 0749-1581
    Keywords: 13C NMR Relaxation ; rates NOE ; factors Activation ; energies Chemical shifts ; Gluconate Manganese-gluconate ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effect of temperature on the spin-lattice (R1) and spin-spin (R2) 13C relaxation rates of gluconate and manganese (II)-gluconate interactions was determined in D2O. An R2 vs T-1 minimum was observed for gluconate similar to that observed in solid-liquid phase transitions. Nuclear Overhauser enhancement factors indicated predominately dipolar relaxation mechanisms for all atoms except the carbonyl carbon. Activation energies and chemical shifts indicated a molecular reorientation involving the carbonyl carbon which resulted in changes in solvation effects. Addition of manganese(II) to gluconate in D2O resulted in an observed minimum in the R1 vs T-1 plots for all carbon atoms except the carbonyl species. The activation energies further supported the concept of changes in solvent-manganese-gluconate interactions produced by variations in intramolecular structure.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260260711
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    NMR 1H relaxation and NOESY studies of spiperone conformational features in solution (1993)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 31 (1993), S. 566-572 
    Details
    ISSN: 0749-1581
    Keywords: 1H NMR ; 13C NMR ; 19F NMR ; NOESY ; 2D NMR ; NMR assignments ; Spiperone conformation in solution ; Proton relaxation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The high-field 1H, 19F and 13C NMR spectra of spiperone in CDCl3 solution were analyzed with the aid of homonuclear (H-H-COSY) and heteronuclear (H,C-COSY) chemical shift correlation experiments. Multiple through-space intersections were identified using phase-sensitive nuclear Overhauser and exchange spectroscopy (NOESY). Proton relaxation rates and activation energies were determined over the temperature range -60 to 50°C. The chemical shift, NOESY and proton relaxation rate results support the formation of cyclic dimers and multiple spiperone conformations in solution.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260310609
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    Paper (German National Licenses)
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