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    1) The document discusses chemical shift in NMR spectroscopy and how it is dependent on electron density around nuclei. Standards like TSP and DSS are used for aqueous solvents. 2) Integration of NMR peaks provides the relative number of protons in a sample based on the area under peaks. Ratios of peak areas can be used to determine molecular structure. 3) Chemical equivalence and factors like inductive effects, hybridization, magnetic anisotropy, resonance, ring currents, and hydrogen bonding affect the chemical shift value in NMR spectroscopy.

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    1) The document discusses chemical shift in NMR spectroscopy and how it is dependent on electron density around nuclei. Standards like TSP and DSS are used for aqueous solvents. 2) Integration of NMR peaks provides the relative number of protons in a sample based on the area under peaks. Ratios of peak areas can be used to determine molecular structure. 3) Chemical equivalence and factors like inductive effects, hybridization, magnetic anisotropy, resonance, ring currents, and hydrogen bonding affect the chemical shift value in NMR spectroscopy.

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    © All Rights Reserved
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    6 views11 pages

    Lecture 8

    Uploaded by

    Ayeneshu B
    1) The document discusses chemical shift in NMR spectroscopy and how it is dependent on electron density around nuclei. Standards like TSP and DSS are used for aqueous solvents. 2) Integration of NMR peaks provides the relative number of protons in a sample based on the area under peaks. Ratios of peak areas can be used to determine molecular structure. 3) Chemical equivalence and factors like inductive effects, hybridization, magnetic anisotropy, resonance, ring currents, and hydrogen bonding affect the chemical shift value in NMR spectroscopy.

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    © All Rights Reserved
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    of 11

    CYN-525

    Advanced Molecular
    Spectroscopy
    Lecture 8

    Dr. Pavan Kumar


    Chemical Shift

    Highly shielded 1H
    𝐵𝑙𝑜𝑐 = 𝐵0 (1 − 𝜎)
    𝜎 − 𝑖𝑠 𝑎𝑙𝑤𝑎𝑦𝑠 𝑝𝑜𝑠𝑖𝑡𝑖𝑣𝑒 𝑓𝑜𝑟 1𝐻 Single intense peak (all 1H are equivalent)
    𝜎 − 𝑑𝑒𝑝𝑒𝑛𝑑𝑒𝑛𝑡 𝑜𝑛 𝑒𝑙𝑒𝑐𝑡𝑟𝑜𝑛 𝑑𝑒𝑛𝑠𝑖𝑡𝑦 𝑖𝑛 1𝑠
    Organic solvent
    Chemical Equivalence – isochronous nuclei

    Inert
    Lamb Formula

    High volatility
    DSS TSP
    Used as standard for all three nuclei

    Standards for aqueous solvents


    Integration
    Area under the peaks – relative number of protons
    Peak position & area

    Integral

    𝑚𝐴 𝐴𝐴
    ∝
    𝑀𝐴 𝑁𝐴 𝑁𝐵 𝐴𝐴 𝑀𝐴
    𝑚𝐴 = 𝑚𝐵 × × ×
    𝑁𝐴 𝐴𝐵 𝑀𝐵 mA – mass of component A
    𝑚𝐵 𝐴 𝐵
    ∝ MA – Molecular Weight of component A
    𝑀𝐵 𝑁𝐵 NA – Number of protons responsible for signal A
    Chemical Equivalence
    Factors affecting 𝛿

    Inductive effects

    Hybridization

    Magnetic Anisotropy

    Mesomeric (resonance) effect

    Ring current effect

    Hydrogen Bonding
    Inductive effect
    Inductive effect
    Hybridization
    Magnetic Anisotropy
    Magnetic Anisotropy
    Magnetic Anisotropy

    Aromatic

    Anti-Aromatic

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