Show/hide contentOpenClose All
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 quantisation and waveparticle 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 (particleinabox), tunneling, rotational motion (particleonaring and particleonasphere) and vibrational motion (harmonic oscillator)
• Describe the property of particle spin
• Understand the structure of hydrogenic atoms in terms of quantum mechanics
• Define the four quantum numbers (n, l, ml, and ms) and recognise their relationship to electronic structure
• Describe the permitted energies of hydrogenic atoms and the shapes of atomic orbitals
• Describe the spectroscopic transitions and selection rules of hydrogenic atoms
• Understand the structure of manyelectron atoms in terms of quantum mechanics
• Describe the orbital approximation and the Pauli principle
• Understand the effects of penetration, shielding, and the Aufbau principle on the atomic subshell energies and electron configurations of manyelectron atoms
• Rationalise Periodic trends in some atomic properties
• Describe the importance of orbitals in theories of chemical bonding
• Understand the valence bond theory of diatomic and polyatomic molecules
• Identify the hybridisation of an atom in a molecule or ion
• Understand molecular orbital theory in terms of linear combinations of atomic orbitals
• Understand the differences between bonding and antibonding molecular orbitals and write the molecular orbital configurations for simple diatomic molecules
• Understand the principles and practice of atomic and molecular spectroscopy.
The classroom component is comprised of seven parts as follows:
Part 1: The Concept of Quantisation
Introduction, Classical Mechanics, Particle in 1D, Hamiltonian, Waves, Light as a Wave Phenomenon, Electromagnetic Radiation, Blackbody Radiation, Planck's Equation, Atomic Emission Spectra, Bohr Model of H Atom
Part 2: From Quantisation to WaveParticle Duality
Photoelectric Effect, de Broglie Relation
Part 3: Impact of Quantisation & WaveParticle Duality – The Dynamics of Microscopic Systems
Timeindependent Schrodinger Equation in 1D, Born's Interpretation of the Wavefunction, Normalisation, Origins of Quantisation, Particle Moving in 1D – Probability Density Examples, Operators, Eigenvalues, Eigenfunctions, Observables, Eigenvalue Equations, Setting up an Operator and Using it to Determine the Value of an Observable, Curvature of Wavefunction, Hermitian Operators, Superpositions/Linear Combinations of Wavefunctions, Measurements, Expectation Values, Heisenberg Uncertainty Principle, Complementary Observables
Part 4: Quantum Mechanics – Techniques & Applications
Particle in a Box in 1D and in 2D, Separation of Variables, Degeneracy, Particle in a Well of Finite Depth, Tunneling, Simple Harmonic Oscillator, A Particle on a Ring, A Particle on a Sphere, Quantisation of Space, Spin
Part 5: The Electronic Structure of the Hydrogen Atom
Hamiltonian and Schrodinger Equation for H Atom, Separation of Variables, Radial Wave Equation, Radial Wavefunctions and Energies, Link to H Atom Spectrum and Ionisation Energy, Angular Wave Equation, Combining Radial and Angular Wavefunctions, Quantum Numbers, Shells, Subshells, Orbitals, Radial Distribution Functions, Role of Selection Rules in H Atom Spectra
Part 6: The Electronic Structure of ManyElectron Atoms
Orbital Approximation, Pauli Exclusion Principle, Order of Orbitals, Shielding, Penetration, Aufbau Principle, Hund’s Rule, Chemical Periodicity of Elements, Electron Configurations of Ions, Paramagnetism, Diamagnetism, Ionisation Energies of Elements, Quantum Defects, Rydberg States
Part 7: Orbitals & Theories of Chemical Bonding
Lewis Model of Covalent Bonding, Bond Order, Length and Strength, Valence Bond Model of Covalent Bonding, Valence Shell Electron Pair Repulsion, Orbital Hybridisation, Cistrans Isomerism, Resonance, Molecular Orbital Model of Covalent Bonding, Bonding and Antibonding Molecular Orbitals, Bond Order, Homonuclear Diatomic Molecules, Sigma and Pi Molecular Orbitals, Paramagnetism of Dioxygen, Heteronuclear Diatomic Molecules, Polyatomic Molecules, Nonbonding Molecular Orbitals, Reconsidering Resonance
Student Effort Type  Hours 

Lectures  24 
Tutorial  4 
Practical  24 
Autonomous Student Learning  50 
Total  102 
Students registering for this module should have completed CHEM00010 Introductory Chemistry OR achieved a minimum grade of C in Leaving Certificate Honours Chemistry or equivalent AND have completed CHEM20080 Basis of Physical Chemistry.
Description  Timing  Component Scale  % of Final Grade  

Exam (Inperson): Endoftrimester inperson written exam  n/a  Graded  No  60 

Practical Skills Assessment: Laboratory practical component based on specified experiments  n/a  Graded  No  30 

Assignment(Including Essay): Four homeworks/problem sheets  n/a  Graded  No  10 
Resit In  Terminal Exam 

Autumn  Yes  2 Hour 
• Group/class feedback, postassessment
There will be four assignments based on problem solving with a particular emphasis on numerical skills development Tutor will provide inperson tutorials to describe aim of each question, relevance to lecture material, approach to solution, and worked solution Assignment questions will bridge between the inclass lecture material, the learning outcomes, and the endoftrimester exam