Fordham University            The Jesuit University of New York
 



   

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/physical-chemistry/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. 1-11

Introduction to Quantum Mechanics

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

2.

9/5 Fri

M: pp. 12-21

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

3.

9/9 Tue

M: pp. 25-34

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

4.

9/10 Wed

M: pp. 35-52

Superposition, Fourier Series, Heisenberg Uncertainty Principle.

5.

9/12 Fri

M: pp. 56-67

Homework Set #1 Due.

Schrodinger Equation, probability density, eigenfunctions and eigenvalues, operators, particle in a box.

6.

9/16 Tue

M: pp. 68-78

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

7.

9/17 Wed

M: pp. 79-90

Barriers and tunneling.

8.

9/19 Fri

M: pp. 91-102

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

9.

9/23 Tue

M: pp. 113-123

Homework Set #2  DUE.

3-D Schrodinger equation and degeneracy, separation of variables, spherical polar coordinates.

10.

9/24 Wed

M: pp. 124-130

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

11.

9/26 Fri

M: pp. 131-141

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

12.

9/30 Tue

M: pp. 142-158

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

13.

10/1 Wed


M: pp. 159-160

Homework Set #3 DUE.

Wavefunctions of hydrogen-like atoms.

Review of Lectures 1-12.

14.

10/3 Fri

 

FIRST HOUR EXAM

view last year's exam

15. 10/7 Tue

M: pp. 171-183

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

16. 10/8 Wed M: pp. 183-195 Building-up principle, shielding, term symbols, spin-orbit coupling, total angular momentum, multielectron atoms.
17. 10/10 Fri M: pp. 196-211 Approximation methods for multielectron atoms: variation principle, Hartree-Fock self-consistent field.
18. 10/14 Tue M: pp. 212-221

Molecules

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

19. 10/15 Wed M: pp. 221-235
LCAO-MO, bonding and anti-binding orbitals, overlap integral, variation principle for molecules, the hydrogen molecule, valence bond theory.
20. 10/17 Fri M: pp. 251-263 Molecular symmetry

Symmetry elements and groups, multiplication table.

21.

10/21 Tue

M: pp. 264-271

Homework Set #4 DUE.

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

22.

10/22 Wed

M: pp. 272-284

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. 285-299

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

24.

10/28 Tue

 M: pp. 309-316

Homework Set #5 Due

Introduction to Spectroscopy and Structure

Time dependence of the wavefunction and the interaction of light with matter, resonance.
25. 10/29 Wed M: pp. 317-326 Spectroscopy, transition moments, moments of inertia, pure rotational spectra.

26.

10/31 Fri

M: pp. 327-340

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

27.

11/4 Tue

M: pp. 341-349

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

28.

11/5 Wed

 

Homework Set#6 Due.

Review of Lectures 15-27

29.

11/7 Fri

 

SECOND HOUR EXAM

view last year's exam

30. 11/11 Tue M: pp. 405-417

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. 418-427 Distributions of numbers of particles about available energy levels, fermions, bosons.

32.

11/14 Fri

M: pp. 427-442

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. 443-457 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. 458-468

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

35.

11/21 Fri

M: pp. 476-494

Homework Set#7 Due.

Introduction to Chemical Kinetics


Rate laws, elementary reactions, mass action, first-order kinetics, half-life, second-order kinetics, determinination of reaction order.

36. 11/25 Tue M: pp. 495-508 More complex reactions, mechanism and rate law, equilibrium approximation, steady state approximation.
37. 12/2 Tue M: pp. 509-520 Enzyme kinetics, collision dynamics.

38.

12/3 Wed

M: pp. 521-533

Transition state theory.

39.

12/5 Fri


Homework Set#8 Due.

Review of Lectures 30-39.
40. 12/9 Tue  

THIRD HOUR EXAM

view last year's exam

41

12/10 Wed

 

Review for final exam.

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