Physical Chemistry I
Required readings: (M) = McMahon, John J., Physical Chemistry, Reason and Experiment, 2014. Available on iTunes at https://itunes.apple.com/us/book/physicalchemistry/id903363913?ls=1&mt=13. Requires and Apple iPad or Mac computer running OS 10.9 or better.
Lec.#

Date

Readings

TOPIC

1.

9/3 Wed

M: pp. 111

Introduction to Quantum Mechanics
Course introduction, early experiments in quantum mechanics, light scattering and blackbody radiation.

2.

9/5 Fri

M: pp. 1221

Photoelectric effect, Compton, DeBrogile (translation of deBrogile's paper), DavissonGermer

3.

9/9 Tue

M: pp. 2534

Waves, vector mathematics of interest, complex quantities, orthonormal functions.

4.

9/10 Wed

M: pp. 3552 
Superposition, Fourier Series, Heisenberg Uncertainty Principle.

5.

9/12 Fri

M: pp. 5667

Homework Set #1 Due.
Schrodinger Equation, probability density, eigenfunctions and eigenvalues, operators, particle in a box.

6.

9/16 Tue

M: pp. 6878

Most probable position, expectation value, superposition and the time dependence of the particle in a box wavefunctions.

7.

9/17 Wed

M: pp. 7990

Barriers and tunneling. 
8.

9/19 Fri

M: pp. 91102

One dimensional harmonic oscillator, potential, wavefunctions, recursion relation, correspondence principle.

9.

9/23 Tue

M: pp. 113123

Homework Set #2 DUE.
3D Schrodinger equation and degeneracy, separation of variables, spherical polar coordinates.

10.

9/24 Wed

M: pp. 124130

Solving the Schrodinger equation for the hydrogen atom, central force field V(r), rigidrotor approximation, azimuthal quantum number, Φ(φ).

11.

9/26 Fri

M: pp. 131141

Angular momentum quantum number, Θ(θ), spherical harmonics.

12.

9/30 Tue

M: pp. 142158

Radial part R(r), principal quantum number, Bohr radius, radial distrubution function, wave structure of matter, nontrivial radial nodes,

13.

10/1 Wed

M: pp. 159160

Homework Set #3 DUE.
Wavefunctions of hydrogenlike atoms.
Review of Lectures 112.

14.

10/3 Fri


FIRST HOUR EXAM
view last year's exam

15. 
10/7 Tue 
M: pp. 171183

Effect of magnetic fields, SternGerlach experiment, spin, Pauli exclusion principle.

16. 
10/8 Wed 
M: pp. 183195 
Buildingup principle, shielding, term symbols, spinorbit coupling, total angular momentum, multielectron atoms. 
17. 
10/10 Fri 
M: pp. 196211 
Approximation methods for multielectron atoms: variation principle, HartreeFock selfconsistent field. 
18. 
10/14 Tue 
M: pp. 212221 
Molecules
Schrodinger equation for molecules, BornOppenheimer approximation, hydrogen moleculeion.

19. 
10/15 Wed 
M: pp. 221235 
LCAOMO, bonding and antibinding orbitals, overlap integral, variation principle for molecules, the hydrogen molecule, valence bond theory. 
20. 
10/17 Fri 
M: pp. 251263 
Homework Set #4 DUE.
Molecular symmetry
Symmetry elements and groups, multiplication table. 
21.

10/21 Tue

M: pp. 264271

Character tables, irreducible representations, direct product, translations and rotations, Raman polarizability components. 
22.

10/22 Wed 
M: pp. 272284

Symmetry and transition moments, vanishing integrals and selection rules, symmetry and Raman and infrared activity of vibrations, inversion center and the rule of mutual exclusion, normal modes.

23.

10/24 Fri 
M: pp. 285299

Reducible representations, vibrational analysis, symmetryadapted linear combinations (SALCs).

24.

10/28 Tue

M: pp. 309316

Introduction to Spectroscopy and Structure
Time dependence of the wavefunction and the interaction of light with matter, resonance. 
25. 
10/29 Wed 
M: pp. 317326 
Spectroscopy, transition moments, moments of inertia, pure rotational spectra. 
26.

10/31 Fri

M: pp. 327340

Vibrational spectra of diatomic molecules, anharmonicity, BirgeSponer plot, vibrationrotation spectra. 
27.

11/4 Tue

M: pp. 341349

Electronic spectra, FranckCondon principle, allowed and forbidden transitions, electronicvibrational (vibronic) transitions, Deslandres table.

28.

11/5 Wed


Homework Set#5 Due.
Review of Lectures 1527 
29.

11/7 Fri


SECOND HOUR EXAM
view last year's exam

30. 
11/11 Tue 
M: pp. 405417 
Introduction to Statistical Mechanics
Kinetic molecular theory of gases, Maxwell distribution, pressure and average energy of an ideal gas. 
31. 
11/12 Wed 
M: pp. 418427 
Distributions of numbers of particles about available energy levels, fermions, bosons. 
32.

11/14 Fri

M: pp. 427442

Most probable distribution = Boltzmann distribution, partition function, translational partition function for an ideal monoatomic gas, boltzons, internal energy, molar partition function and entropy.

33.

11/18 Tue

M: pp. 443457 
Partition of energy in molecules, translational, nuclear, rotational, vibrational and electronic degrees of freedom, choice of zero of energy, total partition function, equipartition principle, connection to thermodynamics. 
34.

11/19 Wed

M: pp. 458468

Heat capacity of solids (an application of statistical mechanics), Einstein model, Debye model. 
35.

11/21 Fri

M: pp. 476494

Homework Set#6 Due.
Introduction to Chemical Kinetics
Rate laws, elementary reactions, mass action, firstorder kinetics, halflife, secondorder kinetics, determinination of reaction order.

36. 
11/25 Tue 
M: pp. 495508 
More complex reactions, mechanism and rate law, equilibrium approximation, steady state approximation. 
37. 
12/2 Tue 
M: pp. 509520 
Enzyme kinetics, collision dynamics. 
38.

12/3 Wed

M: pp. 521533 
Transition state theory.

39.

12/5 Fri

M: pp. 310311

Homework Set#7 Due.
Review of Lectures 3039. 
40. 
12/9 Tue 

THIRD HOUR EXAM
view last year's exam 
41

12/10 Wed


Review for final exam.


