TERM:  202021 Fall 
COURSE NUMBER: 
CHEM 371 
COURSE TITLE: 
Quantum Mechanics and Spectroscopy 
NAME OF INSTRUCTOR: 
Dr. Alyx Thiessen 
CREDIT WEIGHT AND WEEKLY TIME DISTRIBUTION: 
credits 3(hrs lect 3  hrs sem 0  hrs lab 3) 
COURSE DESCRIPTION: 
This course focusses on developing a quantum mechanical
understanding of chemistry. Quantum mechanical models are developed and
applied to help students understand rotational, vibrational, electronic
spectroscopy, and bonding. The connection to quantum chemical
calculations is explored. NMR spectroscopy is also discussed from a
quantum mechanical perspective.
Prerequisites: CHEM 370 
REQUIRED MATERIALS: 
 Engel, T. and Reid, P. Physical Chemistry, 3rd Edition, Pearson Benjamin Cummings, San Francisco 2013.
 Spartan Student, v. 8, Wavefunction, Inc., Irvine 2020. (Available on computers in Computer Lab.)

MARK DISTRIBUTION IN PERCENT: 

Midterms  30% 
Labs  20% 
Exam  20% 
Assignments  15% 
Participation, group work  10% 
Weekly Feedback  5%    
 100% 

COURSE OBJECTIVES:   A. Depth and Breadth of Knowledge
 1. Discuss how quantum mechanics differs from classical mechanics
 2. Understand, articulate, and apply core quantum mechanical ideas
 3.
Understand how to derive and interpret basic quantum mechanical
problems including particle in a box, harmonic oscillator, rigid rotor,
and the hydrogen atom
 4. Understand spectroscopic
experiments and molecular structure in the context of quantum
mechanical models. Appreciate the range of physical parameters that can
be determined to describe molecular and atomic properties.
 5.
Analyze and interpret various spectra (electronic, vibrational, etc.),
understanding what information can be gained from different levels of
analysis
 6. Understand the basic principles of quantum
mechanical calculations focusing on the form and purpose of basis sets
and methods of calculation
 7. Explain the theory behind NMR, the vast array of information that can be gained, and the reason for NMR’s massive versatility
 8. Connect the understanding of conceptual models, mathematical descriptions and experimental spectroscopic data.
 B. Knowledge of Methodologies
 1. Use mathematical tools and methods to describe quantum mechanical problems
 2. Use the Schrodinger equation to calculate observables and determine quantization
 3. Know the different types of modern computational chemistry and how they relate to specific problems
 4. Describe how key instruments function and the quantum mechanical principles behind their operation
 C. Application of Knowledge
 1. Be able of interpret spectra and asses the knowledge that can be gained from each type of spectroscopy
 2.
Perform quantum chemical calculations and asses the results, focusing
on the use of appropriate basis sets and computational methods.
 3. Appreciate how experiment influences theory and theory in turn influences experiment
 D. Communication Skills
 1. Create proper tables, figures, and graphs for the representation of experimental data
 2. Written communication of results and interpretation
 3. Oral communication of concepts and data
 E. Awareness of the Limits of Knowledge
 1. Appreciate how quantum chemistry is a model of the molecular and atomic world
 2.
Relate the way we use models for describing the molecular world to the
way we use mental models in other areas of thinking; theology,
politics, literature, etc.
 3. Know when quantum mechanics is required for solving a problem and its limitations
 4.
Understand what different spectroscopies can tell chemist and how
different factors can limit the amount of information that can be
obtained
 F. Maturity and Professional Capacity
 1. Develop scientific communication skills
 2. Utilize and interpret scientific literature
 3. Practice writing for a professional audience
 G. Respect and Appreciation for the Discipline
 1. Marvel at how the amazing advances in quantum chemistry improve our understanding of the world around us.
 2.
Appreciate that quantum mechanics is a human made description of the
molecular world subject to the same strengths and limitations as other
models and descriptions.
 3. Understand that the
development of these ideas, models, and theories has taken place over a
hundred years and that it is a truly human activity

LECTURE SCHEDULE: 
 The basics of quantum mechanics
 Quantum mechanical postulates
 Using QM for simple systems
 Particle in a box in the real world
 Commuting with Uncertainty
 Understanding rotational and vibrational spectra
 Rigid rotor and harmonic oscillator
 Rotational and vibrational spectroscopy
 Understanding electronic spectroscopy
 The chemical bond in diatomics
 Nuclear magnetic resonance
