CHEM30060 Quantum Mechanics and Molecular Spectroscopy

Academic Year 2020/2021

This module has two parts. The first part presents the key principles and techniques of quantum theory along with applications of the theory to relevant model systems. This knowledge is then employed to make a comprehensive description of (i) the internal structures of hydrogen-like and many-electron atoms, (ii) how atoms interact with light, and (iii) why atomic properties exhibit periodic trends. The second part of this module deals with the rotational, vibrational and electronic spectroscopy of molecules examining how changes in the energy, structure and motion of molecules affect their spectroscopic properties. Conversely, careful analysis of molecular spectra is demonstrated to be an important way by which one may obtain critical information about the nature of molecules such as their electronic structure, the strengths, lengths and angles of their bonds, and their dipole moments.

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Curricular information is subject to change

Learning Outcomes:

On completion of the module, students will be able to:
Understand the origins of quantum mechanics in terms of energy quantization and wave-particle duality.
Describe the dynamics of microscopic systems in terms of the Schrödinger equation and the Born interpretation of the wavefunction.
Use key principles of quantum mechanics to determine the information in a wavefunction and to describe the nature and ramifications of the uncertainty principle.
Apply quantum mechanics to the description of translational motion, confinement (particle-in-a-box), tunneling, rotational motion (particle-on-a-ring and particle-on-a-sphere) and vibrational motion (harmonic oscillator).
Describe the property of particle spin.
Understand the structure and spectra of hydrogenic atoms in terms of quantum mechanics.
Describe the permitted energies of hydrogenic atoms and the shapes of atomic orbitals.
Describe the spectroscopic transitions and selection rules of a hydrogenic atom.
Understand the structure of many-electron atoms in terms of quantum mechanics.
Describe the orbital approximation and the Pauli Exclusion Principle.
Understand the effects of penetration, shielding, and the aufbau principle on the atomic subshell energies and electron configurations of atoms.
Rationalize Periodic trends in atomic sizes, ionization energies, and electron affinities.
Understand the general features of molecular spectroscopy including experimental measurement techniques and the nature and impact of selection rules and transition moments.
Understand pure rotation spectra of molecules.
Describe molecular moments of inertia, rotational energy levels and rotational transitions.
Understand the vibrations of diatomic molecules.
Describe the types of molecular vibrations, and the nature and impact of selection rules and anharmonicity on vibrational spectra.
Describe the vibrations of polyatomic molecules in terms of normal modes.
Describe the infrared absorption spectra of polyatomic molecules.
Understand the characteristics of electronic transitions.
Understand measurements of intensity.
Describe the electronic spectra of diatomic and polyatomic molecules.
Understand the fates of electronically excited states.
Describe fluorescence, phosphorescence, dissociation and pre-dissociation.

Student Effort Hours: 
Student Effort Type Hours
Lectures

24

Practical

30

Autonomous Student Learning

60

Total

114

Approaches to Teaching and Learning:
Not yet recorded 
Requirements, Exclusions and Recommendations
Learning Requirements:

CHEM20120 Physical Chemistry (Level 2) of Atoms and Molecules or equivalent


Module Requisites and Incompatibles
Not applicable to this module.
 
Assessment Strategy  
Description Timing Open Book Exam Component Scale Must Pass Component % of Final Grade
Examination: Written examination 2 hour End of Trimester Exam Not specified Not yet recorded No

60

Lab Report: Continuous assessment of laboratory work Varies over the Trimester n/a Not yet recorded No

30

Continuous Assessment: Continuous assessment during semester Varies over the Trimester n/a Not yet recorded No

10


Carry forward of passed components
Not yet recorded
 
Resit In Terminal Exam
Spring Yes - 2 Hour
Please see Student Jargon Buster for more information about remediation types and timing. 
Not yet recorded
Name Role
Mr Hans Eckhardt Tutor
Chenxi Hao Tutor