Energy, Spectroscopy, and Solid State Chemistry
| Code | School | Level | Credits | Semesters |
| CHEM2017 | Chemistry | 2 | 20 | Full Year UK |
- Code
- CHEM2017
- School
- Chemistry
- Level
- 2
- Credits
- 20
- Semesters
- Full Year UK
Summary
This module introduces and builds on theories that can predict and describe accurately the physical principles underlying chemical phenomena, with emphasis on energy, quantum mechanics, spectroscopy and the solid state.
The module includes a basic introduction to quantum mechanics in Chemistry and an introduction to a range of spectroscopies applied to diatomic molecules. It will be shown how these methods are used to find out and understand information about the structure and bonding in diatomic molecules. Methods for calculating thermodynamic properties of single-component and multi-component materials in different phases will be developed, and there will be an introduction to solid-state chemistry, including the structure, characterisation, energetics and simple band theory of solids.
Target Students
Only available for BSc/MSci Chemistry OR Medicinal and Biological Chemistry OR Chemistry and Molecular Physics OR Natural Sciences AND for Level 2 students.
Classes
- One 1-hour workshop each week for 4 weeks
- One 1-hour tutorial each week for 4 weeks
- Two 1-hour lectures each week for 21 weeks
Assessment
- 100% Exam 1 (3-hour): Second re-assessment: If a further re-assessment is allowed by satisfying the conditions of Undergraduate Course Regulation 19, the form of the further re-assessment for this module will be 100% coursework.
Assessed by end of spring semester
Educational Aims
To introduce the philosophy of quantum mechanics and to show how it can be applied in situations of importance in chemistry, including confined particles, rotation and vibration of molecules, the hydrogen atom, and one-electron ions. To investigate approximations commonly used in quantum chemistry for studying many-electron atoms and molecules. To introduce the principles of spectroscopy in order to predict and understand atomic and diatomic molecular spectra; to understand how electronic and molecular structure determines the appearance of spectra and how structural information may be derived by interpretation of the spectra. To extend existing knowledge and concepts in thermodynamics to a more advanced level, including more complex systems. To introduce the topic of statistical thermodynamics. To provide an understanding of solid-state chemistry, including energetics, structures, characterisation and simple band theory of solids.Learning Outcomes
At the end of the module, you should be able to:
1. Apply Quantum Chemistry to model systems including vibrational, rotational and electronic transitions in molecules. List and rationalise the constraints placed on wave functions, including the Pauli Principle.
2. Describe methods for obtaining approximate wave functions and energies using the Orbital Approximation, the Variation Theorem, and matrix eigenvalue equations.
3. Demonstrate understanding of atomic electronic, molecular (pure) rotational, vibrational, vibration-rotation, Raman, electronic and photoelectron spectroscopy and how structure and spectral features are related.
4. Discuss and apply appropriate selection rules, predict spectra and infer structural and bonding information, and be able to relate quantum mechanical principles to the interpretation and understanding of spectra including the role of wave functions.
5. Give a qualitative and quantitative description of the thermodynamic properties of chemicals and mixtures.
6. Identify solid-state structures, describe how they are characterised, and explain how their properties relate to their structure and to simple band theory.
7. Demonstrate intellectual skills by applying a range of methods to solving numerical problems and making predictions about different substances.
8. Demonstrate transferable/key skills including data analysis, problem solving, scientific deduction, and written communication skills.