CHEMY302-22A (HAM)

Advanced Physical Chemistry

15 Points

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Division of Health Engineering Computing & Science
School of Science
Chemistry and Applied Physics

Staff

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Convenor(s)

Marcus Wilson

Marcus Wilson
4834
EF.3.04
See Moodle
marcus.wilson@waikato.ac.nz

Lecturer(s)

Joseph Lane

Joseph Lane
9391
TT.6.01
See Moodle
joseph.lane@waikato.ac.nz

Administrator(s)

Placement/WIL Coordinator(s)

Tutor(s)

Student Representative(s)

Lab Technician(s)

Librarian(s)

: cheryl.ward@waikato.ac.nz

You can contact staff by:

  • Calling +64 7 838 4466 select option 1, then enter the extension.
  • Extensions starting with 4, 5, 9 or 3 can also be direct dialled:
    • For extensions starting with 4: dial +64 7 838 extension.
    • For extensions starting with 5: dial +64 7 858 extension.
    • For extensions starting with 9: dial +64 7 837 extension.
    • For extensions starting with 3: dial +64 7 2620 + the last 3 digits of the extension e.g. 3123 = +64 7 262 0123.
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Paper Description

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This paper explores theory and practical techniques in physical chemistry. It includes theory and lab work. We shall look at quantum mechanics, apply it to small molecules to find energy levels, and link it with spectroscopic methods. We will use rotation and vibration spectra to find physical properties of molecules. We consider theory and application of statistical thermodynamics to make links between molecular energy levels and thermodynamic properties of gases. Students will use computational chemistry to apply quantum mechanics and statistical thermodynamics to various molecules, with a particular focus on chemical reactivity and spectroscopy.
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Paper Structure

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This paper includes three lectures a week and three-hour laboratory sessions. The third lecture in the week is normally run as a tutorial allowing students to practice solving problems including past test and exam questions. The labs are in the second half of the semester. In addition, there are two tests and two assignments.
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Learning Outcomes

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Students who successfully complete the paper should be able to:

  • Apply quantum mechanical concepts such as the uncertainty principle and de Broglie wavelength to describe small objects
    Linked to the following assessments:
  • Write down Schrodinger's equation and use it to describe a particle in a one-dimensional box; apply this understanding to real quantum systems
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  • Describe the quantized electronic, vibrational and rotational states of molecules and explain how these relate to vibration and rotation spectra
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  • Determine bond length from a rotational spectrum
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  • Use selection rules for quantum transitions to interpret absorption spectra
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  • Calculate how isotopic substitution will change vibration and rotation spectra
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  • Calculate the population of particles at a given energy using the Boltzmann distribution and describe a canonical ensemble
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  • Describe the electronic behaviour of solids using elementary band theory
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  • Find the electronic, vibrational, rotational and translational partition functions for a molecule.
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  • Calculate the internal energy, enthalpy, entropy and Gibbs free energy of a molecule using statistical thermodynamics
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  • Use computational chemistry to investigate the potential energy surface of simple molecules and to predict reaction kinetics and thermodynamics
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  • Use computational chemistry to investigate and interpret the spectroscopy of molecules
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  • Compare and contrast the results of computational chemistry calculations to experimental measurements
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  • Make measurements of physical chemistry systems in a laboratory, and record and interpret the results
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  • Write clear, concise laboratory reports with coherent discussion; use appropriate language, formatting and referencing
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Assessment

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Assessment Components

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The internal assessment/exam ratio (as stated in the University Calendar) is 60:40. There is no final exam. The final exam makes up 40% of the overall mark.

The internal assessment/exam ratio (as stated in the University Calendar) is 60:40 or 0:0, whichever is more favourable for the student. The final exam makes up either 40% or 0% of the overall mark.

Component DescriptionDue Date TimePercentage of overall markSubmission MethodCompulsory
1. Spectroscopy Laboratories
17 Jun 2022
4:30 PM
15
  • Hand-in: Faculty Information (FG Link)
2. Computational Chemistry Laboratories
17 Jun 2022
4:30 PM
20
  • Hand-in: Faculty Information (FG Link)
3. Test 1
14 Apr 2022
12:00 PM
10
  • Hand-in: In Lecture
4. Test 2
10 Jun 2022
11:00 AM
10
  • Hand-in: In Lecture
5. Assignment 1
25 Mar 2022
4:30 PM
5
  • Hand-in: Faculty Information (FG Link)
6. Exam
40
✔
Assessment Total:     100    
Failing to complete a compulsory assessment component of a paper will result in an IC grade
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Required and Recommended Readings

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Recommended Readings

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Atkins, A., de Paula, J. & Keeler, J. (2018) Atkins' Physical Chemistry. 11th edition, Oxford University Press.

Engel, T. & Reid, P. (2014) Physical Chemistry. 3rd edition, Pearson.

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Online Support

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This paper has a Moodle page (http://elearn.waikato.ac.nz) where you will be able to access the laboratory manaul. There are also discussion forums where you can both ask and answer questions.

PLEASE NOTE: Moodle will be used for class notices etc and it is your responsibility to regularly check the site and your appropriate e-mail account. Instructions provided on Moodle and during lectures are considered to be given to the class as a whole.

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Workload

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Lectures: 24 hours plus 12 hours of tutorials

Labs: preparation, attending and write-up: 30 hours

Preparation for tests and exams: 30 hours

Assignments: 10 hours

Private study: 44 hours

Total: 150 hours

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Linkages to Other Papers

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Prerequisite(s)

Prerequisite papers: CHEMY202 or CHEM212 and CHEM214

Corequisite(s)

Equivalent(s)

Restriction(s)

Restricted papers: CHEM302, CHEM312, CHEM314

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