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ENCH 322

The Chemical Bond: Computation and Spectroscopy

3.50 units · Undergraduate / professional

Winter 2026 · Molecules and Spectroscopy

Topics

  • Atomic spectroscopy
  • hydrogen and many-electron spectra
  • spin–orbit and hyperfine interactions
  • rotational and vibrational spectroscopy
  • Raman spectroscopy
  • electronic spectroscopy
  • nuclear magnetic resonance.

Readings

  • No mandatory textbook; course is based primarily on lecture notes.
Winter 2023 · Molecules and Spectroscopy

Topics

  • Atomic Spectroscopy
  • Molecular Spectroscopy
  • Rotational Spectroscopy (the rotational Hamiltonian, Rotational wavefunctions and
  • symmetry, Centrifugal distortion, Structural determination from rotational spectra, The Stark
  • Vibrational Spectroscopy (Harmonic oscillator, Eigenvalues and eigenfunctions, The
  • Raman Spectroscopy (Raman scattering, Rotational Raman spectra, Raman spectra of
  • diatomic molecules, Nuclear spin statistical weights, Rotational Raman spectra of symmetric
  • Electronic Spectroscopy (Molecular orbitals and electronic states of molecules, Electronic
  • selection rules, Potential energy curves, Vibrational and rotational fine structures)
  • Chemical shifts and spin-spin couplings
  • 2D NMR
  • Applications in structural biology (protein NMR)

Readings

  • Recommended textbooks: (1) T. P. Softley, “Atomic Spectra”, Oxford Chemistry Primers, #19 (2) John M. Brown, “Molecular Spectroscopy”, Oxford Chemistry Primers, #55 (3) Peter J. Hore, “Nuclear Magnetic Resonance”, Oxford Chemistry Primers, #32
Sources