Course Details in

Module Title	LM Chemical Dynamics, Spectroscopy and Symmetry
School	Chemistry
Department	Chemistry
Module Code	03 28292
Module Lead	Prof. RL Johnston
Level	Masters Level
Credits	10
Semester	Semester 2
Pre-requisites
Co-requisites
Restrictions	The module is offered to suitably qualified occasional students. For the latter, enrolment is determined on a case-by-case basis using academic transcripts.
Contact Hours	Lecture-20 hours Guided independent study-80 hours Total: 100 hours
Exclusions
Description	The first section of this module focuses on the fundamentals of uni- and bi-molecular reaction kinetics. It surveys theoretical treatments of such reactions, emphasising the connection between the rate coefficient and the underlying potential energy surface for the reaction. Transition state theory is covered in detail using ideas from statistical mechanics, showing how rate constants can be calculated from first principles, both for elementary bi- and uni-molecular reactions. In the second part of this module, we will discuss the electronic structures and electronic spectra of polyatomic molecules and the dependence of geometry on electronic structure, with particular emphasis on group theoretical symmetry-based analysis. Symmetry will also be used to understand vibronic coupling and to explain vibrational structure in photoelectron spectroscopy of polyatomic molecules.
Learning Outcomes	By the end of the module students should be able to: Demonstrate an understanding of the principles and concepts delivered in the course; Apply their acquired knowledge to the solution of relevant problems; Demonstrate an ability to work independently, i.e. adopt student-centred study modes; Understand and explain how a unimolecular and bimolecular rate constant of a reaction is related to the potential energy surface of the reaction; Understand the principles of transition state theory and the underlying statistical mechanical principles; Be able to apply this knowledge and understanding to the solution of unfamiliar problems; Derive the symmetries of molecular orbitals and vibrational modes of polyatomic molecule; Understand the derivation and use of Walsh diagrams to predict the geometries of AH2 and AH3 molecules; Understand the fundamentals of infra-red, Raman, electronic and photoelectron spectroscopy, including factors influencing line width; Assign ground and excited electronic states for neutral, cationic and anionic polyatomic molecules and hence interpret electronic and photoelectron spectra; Understand and explain the origin of (and symmetry requirements for) vibrational fine structure in electronic and photoelectron spectroscopy; Apply symmetry-based selection rules to work out allowed spectral transitions for electronic and vibrational spectroscopy, including vibronic coupling.
Assessment	28292-01 : Chemical Dynamics, Spectroscopy & Symmetry : Exam (Centrally Timetabled) - Written Unseen (100%)
Assessment Methods & Exceptions	Assessments: The course is assessed by a 1.5 hour exam paper (contributing 75% of the module mark) in May/June and continuous assessment (contributing 25%). Reassessment: none
Other	None
Reading List