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    Organic Chemistry Presentation

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    yolanda31777

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    Organic Chemistry Presentation

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    yolanda31777
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    ORGANIC CHEMISTRY PRESENTATION

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    Organic Chemistry Presentation

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    1

    3 C DEPT NMR
    A presentation by Yolanda Nyakatha
    NMR

    ◦ NMR spectroscopy is a Spectroscopy technique used by chemists and biochemists to investigate the
    properties of organic molecules, although it is applicable to any kind of sample that contains nuclei
    possessing spin.
    ◦ For example, the NMR can quantitatively analyse mixtures containing known compounds. NMR can
    either be used to match against spectral libraries or to infer the basic structure directly for unknown
    compounds.
    ◦ Once the basic structure is known, NMR can be used to determine molecular conformation in
    solutions as well as in studying physical properties at the molecular level such as conformational
    exchange, phase changes, solubility, and diffusion.
    DEPT NMR

    ◦ Distortionless Enhancement by Polarization Transfer is a polarization transfer technique used


    to observe nuclei with a small gyromagnetic ratio, which are J-coupled to 1H.
    ◦ DEPT makes use of this polarization transfer to differentiate different types of 1 C signals
    3
    [methyl (CH3), methylene (CH2), and methine (CH)].
    ◦ Unlike traditional ¹³C NMR spectroscopy, which provides only basic information about carbon
    1 DEPT enhances signals from specific types of carbon atoms, allowing for more
    environments,
    detailed analysis.
    ◦ The proton pulse is set at 45°, 90°, or 135° in the three separate experiments.
    DEPT NMR

    ◦ The different pulses depend on the number of protons attached to a carbon atom.
    ◦ Distortionless Enhancement by Polarization Transfer) allows us to determine how many hydrogens
    are bound to each carbon.
    ◦ One of the greatest advantages of 13C-NMR compared to 1H-NMR is the breadth of the spectrum -
    recall that carbons resonate from 0-220 ppm relative to the TMS standard, as opposed to only 0-
    12 ppm for protons.
    ◦ Because of this, 13C signals rarely overlap, and we can almost always distinguish separate peaks
    for each carbon, even in a relatively large compound containing carbons in very similar
    environments.
    DEPT NMR

    ◦ There are three DEPT experiments (when run together we refer to them as the “DEPT-trio”).
    ◦ These experiments have the same “INEPT sequence” and differ only in the “APT portion” of the
    pulse program – that is, they differ only in magnitude of the final 1H tip angle (X = 45, 90 or
    135°).
    ◦ Although there is a significant increase in the SNR, the limitation of this method is that
    quaternary carbons are not typically observed.
    ◦ The resultant phase of each resonance then depends on: 1) this tip angle 2) the number of
    protons attached to the carbon that gives rise to a specific resonance.
    ◦ The DEPT-45
    detects signals of
    all protonated
    carbons
    ◦ The DEPT-90
    gives only CH
    peaks
    ◦ The DEPT-135
    gives signals of all
    protonated
    3 carbons
    Conclusion

    ◦ DEPT experiments distinguish carbon nuclei based on the number of protons attached to it.
    ◦ 13C-NMR spectra show all carbons, DEPT-90 shows only CH's and DEPT-135 shows
    protonated carbons, with CH and CH3's appearing positive and CH2's appearing negative.
    References

    ◦ [1] Jacobsen, N. E. “NMR Spectroscopy Explained: Simplified Theory, Applications and


    Examples for Organic Chemistry and Structural Biology” 2007, John Wiley & Sons, Inc.:
    Hoboken, Chapter 7.
    ◦ Balcerzak, E.S.; Sęk, D.; Volozhin, A.; Chamenko, T.; Jarząbek, B. Eur. Polym. J. 2002, 38, 423
    ◦ Hougham, G.; Tesoro, G.; Viehbeck, A. Macromolecules 1996, 29, 3453
    ◦ Jang, W.; Lee, H.S.; Lee, S.; Choi, S.; Shin, D.; Han, H. Mater. Chem. Phys. 2007, 104, 342
    The End

    ◦ Thank you.

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