Fordham University            The Jesuit University of New York
 



   

Physical Chemistry I


Required readings: (M) = McMahon, John J., Physical Chemistry, Reason and Experiment.
Supplemental readings: (A) = Atkins, Peter; de Paula, Julio, Physical Chemistry, 9th ed.

Lec.#

Date

Readings

TOPIC

1.

8/28 Wed

M: pp. 9-14
A: pp. 249-253

Introduction to Quantum Mechanics

Course introduction, early experiments in quantum mechanics, light scattering and blackbody radiation.

2.

8/30 Fri

M: pp. 15-21
A: pp. 255-259

Photoelectric effect, Compton, DeBrogile (translation of deBrogile's paper), Davisson-Germer

3.

9/3 Tue

M: pp. 23-28
A: Complex Numbers pp. 286-287,
Vectors pp. 368-369

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

4.

9/6 Fri

M: pp. 28-38
A: pp. 273-279
Fourier Series p. 740

Superposition, Fourier Series, Heisenberg Uncertainty Principle.

5.

9/10 Tue

M: pp. 41-50
A: pp. 260-279, 288-292

Homework Set #1 Due.

Schrodinger Equation, probability density, eigenfunctions and eigenvalues, operators, particle in a box, most probable position, expectation value.

6.

9/11 Wed

M: pp. 50-54

Superposition and the time dependence of the particle in a box wavefunctions.

7.

9/13 Fri

M: pp. 54-62
A: pp. 296-300

Barriers and tunneling.

8.

9/17 Tue

M: pp. 62-69
A: pp. 300-306,
Further Information pp. 282

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

9.

9/18 Wed

M: pp. 75-83
A: pp. 293-296, 306-311

Homework Set #2  DUE.

3-D Schrodinger equation and degeneracy, separation of variables, spherical polar coordinates, solving the Schrodinger equation for the hydrogen atom, central force field V(r), rigid-rotor approximation.

10.

9/20 Fri

M: pp. 83-91
A: pp. 311-315

Azimuthal quantum number, Φ(φ), angular momentum quantum number, Θ(θ), spherical harmonics.

11.

9/24 Tue

M: pp. 91-97
A: pp. 324-330

Radial part R(r), principal quantum number, Bohr radius.

12.

9/25 Wed

M: pp. 97-102
A: pp. 330-339

Radial distrubution function, wave structure of matter, non-trivial radial nodes, wavefunctions of hydrogen-like atoms.

13.

9/27 Fri


Homework Set #3 DUE.

Review of Lectures 1-12.

14.

10/1 Tue

 

FIRST HOUR EXAM

view last year's exam

15. 10/2 Wed

M: pp. 109-115
A: pp.
315-316, 339-349

Effect of magnetic fields, Stern-Gerlach experiment, spin, Pauli exclusion principle.

16. 10/4 Fri M: pp. 115-121
A: pp.
350-361
Building-up principle, shielding, ionization energy, term symbols, spin-orbit coupling, total angular momentum, multielectron atoms.
17. 10/8 Tue M: pp. 121-129
A: pp. 349-350, 390-391

Computational Chemistry: variation principle, self-consistent field.

18. 10/9 Wed M: pp. 129-135
A: pp. 371-382

Molecules

Schrodinger equation for molecules, Born-Oppenheimer approximation, hydrogen molecule-ion.

19. 10/11 Fri M: pp. 135-144
A: pp. 382-394

LCAO-MO, bonding and anti-binding orbitals, overlap integral, variation principle for molecules, the hydrogen molecule, valence bond theory.
20. 10/15 Tue M: pp. 152-159
A: Matrices pp. 414-416
pp. 417-426
Homework Set #4 DUE.

Molecular symmetry


Symmetry elements and groups, multiplication table.

21.

10/16 Wed

M: pp. 159-165
A: pp. 427-433

Irreducible representations, direct product, translations and rotations, Raman polarizability components.

22.

10/18 Fri

M: pp. 165-173
A: pp. 439-440, 447, 469-478

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.

10/22 Tue

M: pp. 173-183
A: pp. 433-438

Reducible representations, vibrational analysis, symmetry-adapted linear combinations (SALCs).

24.

10/23 Wed

 M: pp. 190-193

Introduction to Spectroscopy and Structure

Time dependence of the wavefunction and the interaction of light with matter, resonance.
25. 10/25 Fri M: pp. 193-199
A: pp. 445-462
Spectroscopy, transition moments, moments of inertia, pure rotational spectra.

26.

10/29 Tue

M: pp. 199-207
A: pp. 462-469

Vibrational spectra of diatomic molecules, anharmonicity, Birge-Sponer plot, vibration-rotation spectra.

27.

10/30 Wed

M: pp. 207-212
A:
pp. 489-508

Electronic spectra, Franck-Condon principle, allowed and forbidden transitions, electronic-vibrational (vibronic) transitions, Deslandres table.

28.

11/1 Fri

 

Homework Set#5 Due.

Review of Lectures 15-27

29.

11/5 Tue

 

SECOND HOUR EXAM

view last year's exam

30. 11/6 Wed M: pp. 251-258
A: pp. 746-751

Introduction to Statistical Mechanics

Kinetic molecular theory of gases, Maxwell distribution, pressure and average energy of an ideal gas.
31. 11/8 Fri M: pp. 258-266 Distributions of numbers of particles about available energy levels, fermions, bosons. Most probable distribution = Boltzmann distribution, partition function.

32.

11/12 Tue

M: pp. 266-271
A: pp. 564-568
, pp. 568-584

Translational partition function for an ideal monoatomic gas, boltzons, internal energy, molar partition function and entropy.

33.

11/13 Wed

 M: pp. 271-281
A: pp. 592-601
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.

11/15 Fri

M: pp. 281-287
A: pp. 601-605

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

35.

11/19 Tue

M: pp. 292-297
A: pp. 782-789, 790-793

Homework Set#6 Due.

Introduction to Chemical Kinetics


Rate laws, elementary reactions, mass action, first-order kinetics, half-life.

36. 11/20 Wed M: pp. 297-303
A: pp. 789-790, 793-795
Second-order kinetics, determinination of reaction order.
37. 11/22 Fri M: pp. 303-306
A: pp. 802-809
Mechanism and rate law, equilibrium approximation, steady state approximation.

38.

11/26 Tue

M: pp. 306-310
A: pp. 878-881

Enzyme kinetics.

39.

12/3 Tue

M: pp. 310-311
Homework Set#7 Due.

Collision dynamics.
Review of Lectures 30-39.
40. 12/4 Wed   Review of Lectures 30-39.

41

12/6 Fri

 

THIRD HOUR EXAM

view last year's exam

view exam from 2010 (Last year's third exam was abbreviated because of the hurricane. The 2010 third exam is more representative.)

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