一、
課程大綱：
Chapter
1 Quantum theory: introduction
and principles
The
origins of quantum mechanics
1.1
The failures of classical physics
1.2
Wave-particle duality
The
dynamics of microscopic systems
1.3
The Schrodinger equation
1.4
The Born interpretation of the wavefunction
Quantum
mechanical principles
1.5
The information in a wave function
1.6
The uncertainty principle
Chapter
2 Quantum theory: techniques and
applications
Translational
motion
2.1
A particle in a box
2.2
Motion in two dimensions
2.3
Tunnelling
Vibrational
motion
2.4
The energy levels
2.5
The wavefunctions
Rotational
motion
2.6
Rotation in two dimensions
2.7
Rotation in three dimensions
2.8
Spin
Chapter
3. Atomic structure and atomic
spectra
The
structure and spectra of hydrogenic atoms
3.1
The structure of hydrogenic atoms
3.2
Atomic orbitals and their energies
3.3
Spectroscopic transitions and selection rules
The
structures of many-electron atoms
3.4
The orbital approximation
3.5
Self-consistent field orbitals
The
spectra of complex atoms
3.6
Quantum defects and ionization limits
3.7
Singlet and triplet states
3.8
Spin-orbital coupling
3.9
Term symbols and selection rules
3.10
The effect of magnetic fields
Chapter
4. Molecular structure
The
Born-Oppenheimer approximation
Valence-bond
theory
4.1
The hydrogen molecule
4.2
Homonuclear diatomic molecules
4.3
Polyatomic molecules
Molecular
orbital theory
4.4
The hydrogen molecule-ion
4.5
The structures of diatomic molecules
4.6
More about notation
4.7
Heteronuclear diatomic molecules
Molecular
orbitals for polyatomic systems
4.8
Walsh diagrams
4.9
The Huckel approximation
4.10
The band theory of solids
Chapter
5. Spectroscopy 1 : rotational
and vibrational spectra
General
features of spectroscopy
5.1
Experimental techniques
5.2
The intensities of spectral lines
5.3
Linewidths
Pure
rotation spectra
5.4
Moments of inertia
5.5
The rotational energy levels
5.6
Rotational transitions
5.7
Rotational Raman spectra
5.8
Nuclear statistics and rotational states
The
vibrations of diatomic molecules
5.9
Molecular vibrations
5.10
Selection rules
5.11
Anharmonicity
5.12
Vibration-rotation spectra
5.13
Vibration Raman spectra of diatomic molecules
The
vibrations of polyatomic molecules
5.14
Normal modes
5.15
The vibrational spectra of polyatomic molecules
5.16
Vibrational Raman spectra of polyatomic molecules
Chapter
6. Spectroscopy 2 : electronic
transitions
The
characteristics of electronic transitions
6.1
The vibrational structure
6.2
Specific types of transitions
The
fates of electronically excited states
6.3
Fluorescence and phosphorescence
6.4
Dissociation and predissociation
Lasers
6.5
General principles of laser action
6.6
Practical lasers
6.7
Applications of lasers in chemistry
Photoelectron
spectroscopy
6.8
The technique
6.9
Ultraviolet photoelectron spectroscopy
6.10
X-ray photoelectron spectroscopy
Chapter
7. Spectroscopy 3 : magnetic
resonance
Nuclear
magnetic resonance
7.1
Nuclear magnetic moments
7.2
The energies of nuclei in magnetic fields
7.3
The chemical shift
7.4
The fine structure
Pulse
techniques in NMR
7.5
The magnetization vector
7.6
Linewidths and rate processes
7.7
The nuclear Overhauser effect
7.8
Two-dimensional NMR
7.9
Solid-state NMR
Electron
spin resonance
7.10
The g-value
7.11
hyperfine structure
Chapter
8. Diffraction techniques
Crystal
structure
8.1
Lattices and unit cells
8.2
The identification of lattice planes
X-ray
diffraction
8.3
Bragg’s
law
8.4
The powder method
8.5
Single-crystal X-ray diffraction
Information
from X-ray analysis
8.6
The packing of identical spheres: metal crystals
8.7
Ionic crystals
8.8
Absolute configurations
Neutron
and electron diffraction
8.9
neutron diffraction
8.10
Electron diffraction
Chapter
9. The electric and magnetic
properties of molecules
Electric
properties
9.1
Permanent and induced electric dipole moments
9.2
refractive index
Intermolecular
forces
9.3
Interactions between dipoles
9.4
Repulsive and total interactions
9.5
Molecular interactions in beams
Magnetic
properties
9.6
Magnetic susceptibility
9.7
The permanent magnetic moment
9.8
Induced magnetic moments
二、
教科書：
書名：“Physical
Chemistry”,
Sixth Edition
作者：
P. W. Atkins
出版社：
OXFORD University Press (1999)
三、
成績評量：
總成績之計分由一次或兩次期中考，一次期末考及平常作業成績評量。
四、
預修課程：
本課程之先修科目為：普通化學甲、化學數學(一)或其相等科目(物理系或數學系主開之應用數學、工程數學、微分方程式及高等微積分四門)。
