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  • 1
    Digitale Medien
    Digitale Medien
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 33 (1995), S. 167-173 
    ISSN: 0749-1581
    Schlagwort(e): 1,3-dioxolanes ; NOE ; vicinal proton-proton coupling ; configurational analysis ; conformational analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The configurational and conformational properties of six 4-trimethylammoniummethyl 2,2-disubstituted 1,3-dioxolanes were studied using NOE experiments and vicinal coupling constants. Selective 1D NOE experiments proved to be effective tools in the configurational assignment of C-2 relative to C-4. The preferred conformation of the dioxolane ring and the exocyclic group at C-4 was obtained by employing vicinal coupling constants and NOE results. The 1H and 13C NMR chemical shifts show stereochemically dependent trends. Quantitative analysis of conformer populations was performed using Haasnoot et al's equation. The —N+(CH3)3 group was found to be synclinal with respect to the heterocyclic O-3 atom and points outside the ring. When a phenyl group is present at C-2, the 4-CH2N+ -  group in a trans relationship to the 2-phenyl ring was found to occur prevalently in a pseudo-axial orientation, whereas it was established to be prevalently pseudo-equatorial when cis with respect to the phenyl ring.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 33 (1995), S. 657-663 
    ISSN: 0749-1581
    Schlagwort(e): NMR ; 1H NMR ; 13C NMR ; dimers and timers of 3-hexylthiophene ; poly(3-hexylthiophene) ; 1H, 13C inverse detection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The 1H and 13C signals of the hexyl chains of the title compounds were fully assigned. The regiochemical features of the aliphatic region of proton and carbon spectra were analysed in dimers and trimers. Dimers and trimers proved to be reliable model compounds in the regiochemical assignment of poly(3-hexylthiophene) even when the aliphatic region of proton and carbon spectra was involved. The chemical shifts of the protons of CH2(α)s and of the hexyl chain as a whole and those of the first three aliphatic carbons appear to be the most significant.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    ISSN: 0323-7648
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: A solid-state (single crystal X-ray, IR, DSC) and solution (1H NMR nuclear Overhauser effect (NOE) and longitudinal relaxation times (T1)) study of 4,4′-bis(butylthio)-2,2′-bithiophene is reported. The two thienyl rings are coplanar and in an anti orientation in the solid state, whereas a low amount of syn form is present in solution. The n-butylthio chain adopts a fully extended, nearly idealized, anti conformation in the crystal, with all the non-H atoms of the whole molecule strictly coplanar, despite the molecular length, but does not show a preferred orientation in solution. The observed changes on passing from the solid to the solution state are indications of the potential solvatochromic and thermochromic properties of β-butylthio-substituted oligomers and polymers.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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