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Magnetic Resonance: Lecture 9: 8) High Resolution NMR of Simple Organic Liquids

Magnetic Resonance: Lecture 9: 8) High Resolution NMR of Simple Organic Liquids 8.3 Scalar-Spin-Spin Coupling 8.4 1 H NMR Spectroscopy 8.5 Effect of isotopic substitution: deuteration 8.6 13 C Spectroscopy 8.7 Calculation of NMR spectra from quantum mechanics and the eigenvalue equation.

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Magnetic Resonance: Lecture 9: 8) High Resolution NMR of Simple Organic Liquids

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  1. Magnetic Resonance: Lecture 9: 8) High Resolution NMR of Simple Organic Liquids 8.3 Scalar-Spin-Spin Coupling 8.4 1H NMR Spectroscopy 8.5 Effect of isotopic substitution: deuteration 8.6 13C Spectroscopy 8.7 Calculation of NMR spectra from quantum mechanics and the eigenvalue equation

  2. OH CH2 CH3 Why does the NMR spectrum of ethanol (CH3CH2OH) have several lines, each resonance line itself being split? 1H spectra of ethanol (CH3CH2OH)

  3. Chemical shift: Chemical environment • External magnetic field, Bo (Bzk), induces movement of electron clouds in molecules, inducing a magnetic field opposing Bzk : • Binduced = -sBzk • Effective field experienced by spins: • Beffective = (1-s)Bzk • s is the chemical shift shielding constant • Zeeman Hamiltonian modified to: • For proton NMR, 1H close to electronegative atoms, eg, O or Cl, will be less shielded: lower value of s, greater Larmor frequency.

  4. OH CH2 CH3 1H spectra of ethanol (CH3CH2OH) Intensity of line scales with number of nuclei v OH CH3 CH2 • Scalar Spin-Spin Coupling • Chemical shift also modified by near-by nuclei, causing splitting of resonance lines: J-coupling or indirect dipolar coupling.

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