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  • 1
    ISSN: 0749-1581
    Keywords: Heteronuclear relayed coherence transfer ; Carbon-carbon double quantum coherence ; Two-dimensional NMR ; 2D NMR ; Polynuclear aromatics ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two-dimensional heteronuclear chemical shift correlation, heteronuclear relayed coherence transfer and autocorrelated 13C - 13C double quantum coherence have been used to assign the proton and 13C NMR spectra of benzo[b]phenanthro[4,3-d]thiophene. The highly complementary nature of the heteronuclear relay and carbon-carbon double quantum spectra conveniently provides the means of avoiding breaks in the carbon-carbon connectivity network assembled by the latter, which may arise when strongly AB rather than AX carbon-carbon pairings are encountered. Nuclear Overhauser difference spectra have shown the title compound to possess a tertiary helical structure similar to that of phenanthro[3,4-b]thiophene; the average separation between the H-1 and H-13 atoms of the title compound was found to be 2.06 ± 0.04 Å.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 0749-1581
    Keywords: 2D NMR ; heteronuclear chemical shift correlation ; COSY ; double quantum coherence ; zero quantum coherence ; relayed coherence transfer ; J-filtration ; long range heteronuclear shift correlation ; BIRD pulse ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H- and 13C-NMR spectra of dinaphtho[1,2-b:1′2′-d]thiophene (1), a sulfur-containing polynuclear heteroaromatic, have been totally assigned using a combination of two-dimensional NMR techniques. Techniques applied were standard proton-proton COSY, proton zero-quantum coherence (ZQCOSY, optimized to 7 Hz and to 1.75 Hz), proton double quantum coherence (DQCOSY, optimized to 7 Hz), broad-band decoupled (both dimensions) proton-carbon chemical shift correlation, long-range proton-carbon chemical shift correlation, and proton-carbon heteronuclear relayed coherence transfer. A comparison of these methods on 1 showed the most useful information concerning connectivities to be obtained from the zero-quantum coherence and long-range heteronuclear correlation experiments. A detailed critique of each type of experiment is given in the context of applications to polynuclear aromatics.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 0749-1581
    Keywords: Two-dimensional NMR ; Heteronuclear proton-carbon chemical shift correlation ; Long-range optimization ; Long-range proton-carbon chemical shift correlation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Techniques available for long-range heteronuclear chemical shift correlation are briefly reviewed. A new pulse sequence for long-range heteronuclear chemical shift correlation is described. Comparison of the results obtained using the new pulse sequence with those from conventional long-range optimized heteronuclear chemical shift correlation is presented. Total Assignments of the 1H and 13C NMR spectra of 1-benzothieno[2,3-çlquinoline], the model compound used for the study, are reported.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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