Chapter 15
Molecular Structure and Spectra

I. Bonding

Hydrogen ion

QM formulation
Pictor A jet
Heartbeats
Isolated parities
Parity pictures
Wave functions
Animation
Proton-proton interaction
Electron-protons interaction
Opposite parities
Constructive analog: Laffer Curve
Model

Hydrogen atom

Covalent bonds
Radial dependence
Reprise model
Compare
Question
Ionization of H2

Molecular orbitals

Classical and QM dwell times
QM distributions
Morphology
pp and sp bonding
Water, ammonia and methane
sp hybrids
Caltrops
continued
Greenhouse tetrahedrons
Central angle of a tetrahedron

Ionic bonds

Electron stealing
Energy budget
Radial dependence
Model potential
General potential
Power law
Pauli "force?"
Potassium iodide
Ionic character
Electronegativity
Sample calculations
Biological consequences of electronegativity
Electronegativity and fractional ionic character

II. Spectroscopy

Vibration and anharmonic oscillators

Vibration and rotation
Position probability
Average values
Quantized SHO
With Maslov Index
Anharmonicity
Perturbation solution
Morse potential
H2 spring constants
Compare to macroscopic
Other examples

Rigid Rotors

Vibration and rotation
Hyperphysics - Molecular Physics
Spherical, symmetric, and asymmetric tops
Energy levels
Transitions
Rotational bands
Ro-Vib/no electronic or I-moment change
Example: HCl
Example: HBr
Other examples
HCl (continued)
Band heads
P, Q, and R branches
Swan bands

Molecular Spectra

Rotation, vibration, and electronic energies
Level structure
2-body collective modes
Isotope splitting
HCl spectrum
HBr spectrum
Hyperphysics - HCl vibration-rotation
Selection rules

III. Interactions

Thermal equilibrium

Boltzmann distribution
Atomic and molecular populations
H2 vibrational intensities
  H2 vibrational energies
H2 rotational intensities
  H2 rotational energies
HCl temperature determination
  HCl vibrational energy
  Include higher energy levels
  Rephrase problem

Scattering

Raman spectroscopy

Transition probabilities

Defined
RKR Franck-Condon factors
R-centroid approximation

Chapter 1   Chapter 2  Chapter 3  Chapter 4  Chapter 5  Chapter 6
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