Fordham University            The Jesuit University of New York
 



   

Physical Chemistry I


Text (A) = Atkins, Peter; de Paula, Julio, Physical Chemistry, 9th ed.

Lec.#

Date

Readings(A)

TOPIC

1.

8/29 Wed

pp. 249-253

Introduction to Quantum Mechanics

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

2.

8/31 Fri

pp. 255-259

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

3.

9/4 Tue

Complex Numbers pp. 286-287,
Vectors pp. 368-369

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

4.

9/7 Fri

pp. 273-279
Fourier Series p. 740

Superposition, Fourier Series, Heisenberg Uncertainty Principle.

5.

9/11 Tue

pp. 260-273

Homework Set #1 Due.
Schrodinger Equation, probability density, eigenfunctions and eigenvalues, operators.

6.

9/12 Wed

pp. 288-292

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

7.

9/14 Fri

pp. 293-300

Barriers and tunneling, 2-D(particle on a surface), 3-D Schrodinger equation and degeneracy.

8.

9/18 Tue

pp. 300-306,
Further Information pp. 280-282

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

9.

9/19 Wed

pp. 306-311

Homework Set #2  DUE.

Spherical polar coordinates
, solving the Schrodinger equation for the hydrogen atom, central force field V(r), rigid-rotor approximation, azimuthal quantum number, Φ(φ).

10.

9/21 Fri

pp. 311-315

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

11.

9/25 Tue

pp. 324-330

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

12.

9/26 Wed

pp. 330-339

Radial distrubution function, wave structure of matter, wavefunctions of hydrogen-like atoms.

13.

9/28 Fri


Homework Set #3 DUE.
Review of Lectures 1-12.

14.

10/2 Tue

 


FIRST HOUR EXAM

view last year's exam

15. 10/3 Wed

pp. 315-316, 339-349

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

16. 10/5 Fri pp. 350-361 Building-up principle, shielding, ionization energy, term symbols, spin-orbit coupling, total angular momentum, multielectron atoms.
17. 10/9 Tue pp. 349-350, 390-391

Computational Chemistry: variation principle, self-consistent field.

18. 10/10 Wed pp. 371-382

Molecules

Born-Oppenheimer approximation, valence bond theory, molecular orbital theory, diatomic molecules, hydrogen molecule-ion.

19. 10/12 Fri pp. 382-394
LCAO-MO, bonding and anti-binding orbitals, overlap integral, variation principle for molecules, the hydrogen molecule.
20. 10/16 Tue Matrices pp. 414-416
pp. 417-426
Molecular symmetry, symmetry elements and groups, character tables.

21.

10/17 Wed

pp. 427-433

Reducible and irreducible representations, direct product.

22.

10/19 Fri

pp. 433-438

Application of molecular symmetry to molecular orbital theory,symmetry-adapted linear combinations (SALCs).

23.

10/23 Tue

pp. 439-440, 447, 469-478

Application of molecular symmetry to spectroscopy, vanishing integrals and selection rules, symmetry and Raman and infrared activity of vibrations, inversion center and the rule of mutual exclusion, normal modes.

24.

10/24 Wed

 

Homework Set #4 DUE.

Introduction to Spectroscopy and Structure

Time dependence of the wavefunction and the interaction of light with matter, resonance .

25. 10/26 Fri  pp. 445-462 Spectroscopy, transition moments, moments of inertia, pure rotational spectra.

26.

10/30 Tue

 

CANCELED due to hurricane.

27.

10/31 Wed


CANCELED due to hurricane.

28.

11/2 Fri

 

CANCELED due to hurricane.

29.

11/7 Wed

pp. 462-469

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

30. 11/9 Fri pp. 489-508

Electronic spectra, resonance Raman, Franck-Condon principle, allowed and forbidden transitions, fluorescence, photoelectron spectroscopy.

31. 11/13 Tue pp. 746-751

Homework Set#5 Due.

Introduction to Statistical Mechanics

Kinetic molecular theory of gases, Maxwell distribution, pressure and average energy of an ideal gas.

32.

11/14 Wed

 

Review of Lectures 15-30

33.

11/16 Fri

 

SECOND HOUR EXAM

view last year's exam

34.

11/20 Tue

pp. 564-568
pp. 568-584

Distributions of numbers of particles about available energy levels, fermions, bosons. Most probable distribution = Boltzmann distribution. Partition function, translational partition function for an ideal monoatomic gas, boltzons, internal energy and entropy.

35.

11/27 Tue

 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.

36. 11/28 Wed pp. 601-605 Heat capacity of solids (an application of statistical mechanics), Einstein model, Debye model.
37. 11/30 Fri pp. 782-789, 790-793 Introduction to Chemical Kinetics

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

38.

12/4 Tue


pp. 789-790, 793-795, 799-802

Second-order kinetics, determinination of reaction order, temperature dependence of the rate constant.

39.

12/5 Wed


Homework Set#6 Due.
Review of Lectures 31, 34-38.

40.

12/7 Fri

 

THIRD HOUR EXAM

view last year's exam

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