This laboratory-based course exposes students to the practice of basic analytical techniques and prepares them to produce effective written scientific and technical reports. It consists of a series of laboratory experiments chosen to indicate the characteristics and application of selected analytical techniques. Students work in groups for some of these exercises to gain team experience. Workshops on the correct approach to scientific writing will be provided.
This course begins with a review of simple crystal field theory (CFT), highlighting both strengths and weaknesses of the model. It shows how CFT and the crystal field splitting parameter, Δ, have been used to correlate a wide range of properties of first-row transition metal complexes including: structure, electronic spectra, magnetic properties and some aspects of thermochemistry.
An introduction to inorganic reaction mechanisms of coordination compounds of first row transition metal ions. The primary objective of this part of the course is to make you familiar with the following topics:
A short course (4 lectures) on organometallic chemistry involving only transition metals will then be presented. The aim of the course is to introduce to you:
Composition and Structure
Major components, gaseous and particulate, steady state in concentration due to balanced inputs and outputs. Scale of inputs and outputs compared to reservoir. Units and inter-conversion between units.
Temperature and density profile of the atmosphere and identification of layers designated troposphere, stratosphere, and mesosphere.
Effect of gravity - vertical pressure profile derived, concept of scale height.
Effect of solar radiation – adiabatic lapse rate derived, photochemical reactions exemplified by ozone production and destruction in stratosphere. General circulation in brief.
Minor Constituents
Sources, sinks, residence time of major and important minor constituents, including:
(i) Water – role in energy balance, main reactions involving water or water derived species such as OH radical. Heterogeneous-phase reactions, Henry’s
Law, pH of rainfall.
(ii) Carbon compounds - CO2, CO, CH4 mainly. The role of CO2 in the planet's
energy balance, and its seasonal variation.
(iii) Nitrogen compounds - NO, NO2, N2O, and NH3 mainly
(iv) Sulphur compounds - SO2, H2S, COS, and DMS mainly
(v) Oxygen compounds - O3 mainly, including photochemistry of stratospheric
ozone.
(vi) Particulates –classification according to size - sources and sinks.
Atmospheric Pollution
Early pollution episodes, main or criteria pollutants in modern cities
Anthropogenic sources compared to natural sources in magnitude.
CO2 seasonal and long-term variation, global warming Acid rain
Photochemical smog, importance of organics, production of ozone and PAN
Stratospheric ozone losses, likely mechanisms, ozone hole over Antarctica.
Some health effects of pollution, other effects.
In this course thermodynamics, electro-chemistry and spectroscopy will be examined in some detail.
RATIONALE
Quantum chemical calculations are rapidly becoming a viable alternative to experiments as a means to investigate chemistry, and continue to play strong supportive and predictive roles. Electrochemistry takes centre stage in the industrial production of several chemicals, corrosion, enzyme-controlled biological redox processes, batteries and fuel cells. This course is designed to provide students with a deeper understanding of the conceptual basis of some modern physico-chemical theories and methods.
COURSE DESCRIPTION
This course explores in considerable depth the fundamentals of computational chemistry and quantum chemistry and their application to molecular structure and properties, and further elaborates on the topic of redox chemistry, which was introduced in the core programme.
LEARNING OBJECTIVES
On completion of this course students should be able to:
1.Apply the Hückel molecular orbital approximation to some simple organic molecules.
2.Use the Hartree-Fock algorithm to find orbital energies and ionisation potentials for closed-shell configurations.
3.Use computer software to find equilibrium configurations, and electronic charge distributions of molecules.
4.Derive rate expressions for electron transfer processes.
5.Apply the Marcus theory to homogeneous and heterogeneous redox reactions.
6.Explain the principles underlying some common electroanalytical techniques.
7.Interpret and analyse electrochemical data obtained with cyclic voltammetry and other techniques.
8.Identify the features of dipoles and induced dipoles and relate their dipole moment to the charge, separation of charge and polarisability of atoms and molecules.
9.Model the cohesive and repulsive forces between aggregates of atoms and molecules in terms of the interaction between pairs.
10.Relate the properties of gases and liquids (such as thermal conductivity, viscosity and surface properties of liquids) to the nature and strength of the interaction between units.
COURSE CONTENT
Computational Methods (10 lectures)
Molecular Interactions (10 lectures)
1. Electric dipole moments, polarizabilities, and relative permittivities.
2. Interaction between dipoles and induced dipoles
3. The dispersion interaction, repulsive and total interactions, hydrogen bonding. Role in molecular recognition.
4. Molecular interactions in gases, the kinetic model for the perfect gas.
5. Real gases, van der Waals and virial equations of state.
6. Collisions with walls and surfaces, effusion.
7. Transport properties including diffusion, thermal conductivity and viscosity.
8. Molecular Interactions in liquids, structure and order in liquids.
Redox Processes and Advanced Electrochemistry (10 lectures)
1. Homogeneous and heterogeneous electron transfer.
2. Outer- and inner-sphere reactions.
5. Ionic transport in solution. Diffusion and migration.
6. Cell design. Liquid junctions.
7. Reversible, irreversible and quasi-reversible electron transfer at electrodes. Butler-
Volmer equation and Tafel plots.
8.Polarography. Potentiostats.
Dynamic techniques: cyclic voltammetry, a/c
voltammetry and impedance methods.
Aims:
1) To provide training to acquaint students with the proper use of instruments that are available within the department, including: NMR, FT-IR and UV/Vis spectrometers and the use of available software for data collection and manipulation. Each student is required to pass a proficiency test and submit their own spectra. In the case of X-Ray and SEM instruments demonstrations and tutorials will be provided by specialists.
2). Applications of computers in chemistry – this will introduce students to some chemistry software packages available within the department or online.
3) To introduce new post-graduate students to the concepts of scientific research, logical progression, methods of data collection and analysis, scientific writing and oral presentation, and research ethics.
Caribbean Films and Their Fictions (AR25F) involves the study of six Caribbean texts: three films and three novels. Students explore thematic and formal elements of both genres as well as ideas about culture, history, Caribbean society and politics generated by the texts. Theory relevant to the issues and ideas raised by the texts is also taught.