CHEMISTRY 3451 - PHYSICAL CHEMISTRY III
Course Outline, Fall 2014
Contact Information
Instructor:
Office:
Phone:
E-mail:
R. Mawhinney
CB-4062
(807) 343-8245
robert.mawhinney@lakeheadu.ca
Lectures:
Monday and Wednesday 4:00-5:30, Location: RB-3051
Tutorial:
Friday 9:30-10:30, Location: RB-3051
Laboratory:
Thursday 11:30-2:30, Location: AT-3003 or CB-2047
Pre-requisite:
Chemistry 2412
Recommended Preparatory Course: Math 2111
Required Material:
Quantum Chemistry and Molecular Interactions, by Andrew Cooksy, Pearson. We will
be covering Chapters 1 – 9 this semester
Mastering Chemistry: Course ID: RMAWHINNEY3451
Optional (but useful) Material:
Quantum States of Atoms and Molecules, a JCE Living Textbook in physical chemistry.
http://www.jce.divched.org/JCEDLib/LivTexts/pChem/JCE2005p1880_2LTXT/QuantumState
s/Index.htm
Physical Chemistry, 9th edition, Peter Akins and Julio De Paula, Freeman. Chapters 7 - 14
Tables of Integrals:
http://www.physics.umd.edu/hep/drew/IntegralTable.pdf
http://pascal.sca.uqam.ca/~sca2626/DocSoutien/integral-table.pdf
http://atsol.fis.ucv.cl/dariop/sites/atsol.fis.ucv.cl.dariop/files/Table_of_Integrals_Serie
s_and_Products_Tablicy_Integralov_Summ_Rjadov_I_Proizvedennij_Engl._2.pdf
http://www.mathwords.com/i/integral_table.htm
http://www.math.com/tables/integrals/tableof.htm
http://integral-table.com/
http://en.wikipedia.org/wiki/Lists_of_integrals
Overview
This course will cover the basic concepts of quantum theory, focusing mainly on its applications to
chemistry. Much of the subject matter involves the use of various mathematical techniques that
will be briefly introduced when needed. However, it is the students’ responsibility to practice the
techniques and be able to apply them in other situations.
Learner Outcomes
• Understand the basic concepts of quantum theory
• Understand the necessary approximations needed for its application to chemistry
• Describe the electronic structure of atoms and molecules
• Understand the relationship between quantum theory and spectroscopy
1 Mark Distribution:
Assignments (6)
Laboratory (8)
Mid-Term Test
Final Examination
Total
10%
30%
30%
30%
100%
Topics Covered
The following schedule of topics is a guideline only - dates are approximate (except for Mid-Term).
Week 1 & 2
Foundations of Quantum Mechanics
Schrödinger Equation, Eigenfunctions and Eigenvalues, Operators
Fundamental Examples
Week 3, 4 & 5
The Hydrogen Atom
Electron Spin
Many-Electron Atoms
Atomic Term Symbols
Week 6 & 7
Chemical Bonding
Magnetic Resonance Theory
October 23
Mid-term test
Week 8 & 9
Symmetry
Excited States
Week 10, 11 & 12
Vibrational Spectroscopy
Rotational Spectroscopy
Week 12
Spectroscopy and Quantum Overview
Course Review
11:30 am – 2:30 pm
Laboratory Schedule
Sept. 11
Sept. 18
Sept. 25
Oct. 2
Oct. 9
Oct. 16
Oct. 23
Oct. 30
Nov. 6
Nov. 13
Nov. 20
Nov. 27
Thursday 11:30-2:30
NO LAB
lab 1 – Introduction to Computational Chemistry (AT-3003)
lab 2 – Predicting UV-Vis Spectra (AT-3003)
lab 3 – VSEPR (AT-3003)
lab 4 – Predicting Rotational-Vibrational Spectra (AT-3003)
lab 5 – Locating Transition States (AT-3003)
MIDTERM (AT-3003)
lab 5 – Locating Transition States (AT-3003)
lab 6 – Symmetry (AT-3003)
lab 7 – Experimental UV-Vis Spectra (CB-2047)
lab 8 – Experimental Rotational-Vibrational Spectra (CB-2047)
NO LAB
2