台灣大學91學年第二學期
開課系所： 化學系
課程名稱： 物理化學下
課程編號： 203 33102 01/02
授課對象： 農化系
授課老師：陳逸聰教授

物理化學 課程大綱
內容
9. Quantum theory: introduction and principles
Classical concepts
Experimental failures of classical physics
Blackbody radiation
Photoelectric effect
Atomic spectra
Principles of quantum theory
Wave–particle duality
Schrödinger’s equation
Born interpretation
General approach for solving Schrödinger’s equation
Interpretation of quantum mechanics
Heisenberg Uncertainty Principle
A quantum-mechanical world
Research direction: Schrödinger’s cat
References
Problems
10. Particle in a box and tunneling
One-dimensional particle in a box
Properties of the solutions
Energy and wavefunction
Symmetry
Wavelength
Probability
Orthogonality
Average or expectation value
Transitions
Research direction: carotenoids
Two-dimensional particle in a box
Tunneling
Research direction: probing biological membranes
Research direction: electron transfer II: distance dependence
References
Problems
11. Vibrational motion and infrared spectroscopy
Simple harmonic oscillator: classical theory
Potential energy for the simple harmonic oscillator
Simple harmonic oscillator: quantum theory
Derivation box 11.1 Solving Schrödinger’s equation for the simple
harmonic oscillator
Properties of the solutions
Forbidden region
Transitions
Vibrational spectra
Research direction: hydrogenase
References
Problems
12. Atomic structure: hydrogen atom and multi-electron atoms
Schrödinger’s equation for the hydrogen atom
Derivation box 12.1 Solving Schrödinger’s equation for the hydrogen atom
Separation of variables
Angular solution
Radial solution
Properties of the general solution
Angular momentum
Orbitals
s Orbitals
p Orbitals
d Orbitals
Transitions
Research direction: hydrogen economy
Spin
Derivation box 12.2 Relativistic equations
Multi-electron atoms
Empirical constants
Self-consistent field theory (Hartree–Fock)
Helium atom
Spin–orbital coupling
Periodic table
References
Problems
13. Chemical bonds and protein interactions
Schrödinger’s equation for a hydrogen molecule
Valence bonds
The Hückel model
Interactions in proteins
Peptide bonds
Steric effects
Hydrogen bonds
Electrostatic interactions
Hydrophobic effects
Secondary structure
Determination of secondary structure using circular dichroism
Research direction: modeling protein structures and folding
References
Problems
14. Electronic transitions and optical spectroscopy
The nature of light
The Beer–Lambert law
Measuring absorption
Transitions
Derivation box 14.1 Relationship between the Einstein coefficient and
electronic states
Lasers
Selection rules
The Franck–Condon principle
The relationship between emission and absorption spectra
The yield of fluorescence
Fluorescence resonance energy transfer
Measuring fluorescence
Phosphorescence
Research direction: probing energy transfer using two-dimensional
optical spectroscopy
Research direction: single-molecule spectroscopy
Holliday junctions
References
Problems
15. X-ray diffraction and extended X-ray absorption fine structure
Bragg’s law
Bravais lattices
Protein crystals
Diffraction from crystals
Derivation box 15.1 Phases of complex numbers
Phase determination
Molecular replacement
Isomorphous replacement
Anomalous dispersion
Model building
Experimental measurement of X-ray diffraction
Examples of protein structures
Research direction: nitrogenase
Extended X-ray absorption fine structure
References
Problems
16. Magnetic resonance
NMR
Chemical shifts
Spin–spin interactions
Pulse techniques
Two-dimensional NMR: nuclear Overhauser effect
NMR spectra of amino acids
Research direction: development of new NMR techniques
Determination of macromolecular structures
Research direction: spinal muscular atrophy
MRI
Electron spin resonance
Hyperfine structure
Electron nuclear double resonance
Spin probes
Research direction: heme proteins
Research direction: ribonucleotide reductase
References and further reading
Problems