Fundamentals of Chemistry

Overview

1. Elements, Atoms, ions, electrons and the periodic table. (9h)
This course aims to give an introduction to the fundamental principles of atoms from the
chemists’ viewpoint. Starting from a simple model and using the results of quantum mechanics
a more appropriate model of the atom is presented. From this model trends in atomic and ionic
properties which enable us to explain differences and similarities and predict the properties of
different elements can be deduced. The following topics are covered:

The Basics: element, the periodic table, atom, mole.
Electromagnetic radiation: energy, wavelength and frequency.
The Atom: the Bohr atom.
The Electron: wave-particle duality and the Schrödinger wave equation, probability density,
radial distribution function, orbitals, quantum numbers, s and p orbitals, phase, d orbitals.
More than one electron: filling orbitals, the aufbau principle, the Pauli exclusion principle,
Hund’s rules, penetration, shielding, effective nuclear charge, Slater’s rules, size.
Trends: ionisation energy, electron attachment enthalpy (affinity), electronegativity, ionic
radii, polarisability and polarising power, hydration enthalpies.
Redox reactions: assigning oxidation numbers, oxidising and reducing agents, redox
potentials.
Percentage composition, empirical formula and molecular formula, determining limiting reactant. How to balance simple redox reactions.

2. Introduction to Chemical Reactivity (9h)
Introduction to chemical reactivity and the differing concepts of thermodynamic and kinetic control
Factors affecting reaction rate: concentration, molecule shape, temperature and catalyst for successful collisions
Concentration - time relationships for zero, first and second order reactions: rate equations and shapes of concentration – time graphs. Molecularity, stoichiometry and reaction order. Rate constants and units.
Integrated rate equations: Graphical methods for determining the reaction order and the rate constant
Half-life and first order kinetics
Collision and transition state theory. The Arrhenius Equation and activation energy
Reaction Mechanisms: Complex reactions and the rate determining step
Relevant industrially important examples from all areas of science and engineering

3. Structure and Bonding. (9h)
This course introduces some important theories of bonding. Theories of bonding
are discussed in some detail for discrete molecules. The discussion of bonding
in molecular species centres on the valence bond and molecular orbital theories. Intermolecular forces between molecules are also discussed.
Introduction to bonding: Discussion of types of structure and common bonding theories, examples of representative structures.
Homonuclear Diatomic Molecules: Interatomic distance and covalent radii, Potential energy curves, attractive and repulsive forces, bond energy and enthalpy. Lewis structures, filled shells, the octet rule. Wavefunction, introduction to valence bond theory and molecular orbital theory, Valence bond theory: ionic and covalent contributions, resonance; Molecular orbital theory: molecular orbitals, linear combinations of atomic orbitals, orbital overlap, bonding and antibonding orbitals, MO diagrams, some shapes of MO’s, labelling MO’s, examples of simple MO diagrams, bond order.
Heteronuclear Diatomic Molecules: Lewis structures, valence bond approach, Molecular orbital theory, energy matching, symmetry, non-bonding orbitals; electronegativity, electric dipole moments, carbon monoxide, isoelectronic molecules.
Polyatomic Molecules: Metal complexes and covalent polyatomics, coordination number, common geometries, molecules obeying the octet rule, valence bond theory, expanding the octet, hybridization (sp, sp2, sp3), formal charge, single, double and triple carbon-carbon bonds, molecular shapes; molecular orbital theory: ligand group orbitals; comparison of VB and MO, macromolecules, fullerenes, proteins and hydrogen bonding.

4. Introduction to Organic Structure. (9h)
Structural formula to represent organic compounds, identify isomers and convert structural
formula to molecular formula.
Structure-property relationships of common organic functional groups, giving rise to stability,
reactivity and solubility.
Conformation and stereoisomerism including R&S, E&Z, and D&L notation.

WORKSHOPS (2 x 2h)
Workshop A: Open book computer-based quiz on units 1&2 week 7 (10% module mark).
Workshop B: Open book written quiz on units 3&4 week 13 (formative).

Learning Objectives

On completion of this module a learner should be able to:
*Students should aim to achieve a solid grounding in the fundamental principles of atomic structure, the principal quantum numbers and s and p orbitals and the periodic table, including the ability to answer problems related to these concepts. They should be able to explain and use the aufbau principle. They should aim to achieve a good understanding of, and be able to explain, the trends in atomic and ionic properties in the periodic table. They should develop the ability to use these concepts to explain and predict the properties of the different elements.
* Students should understand the factors that govern chemical reactivity.
* Students should be able to draw Lewis structures for simple molecules that obey the octet rule and be able to use hybridisation to describe more complex structures and especially single, double and triple bonds to carbon. They must be able to understand how and why resonance is used to describe a structure.
* They should understand the significance of molecular orbital diagrams, be able to draw them for simple molecules and be able to use the molecular orbital diagram to work out the order and suggest the stability of bonding.
* Students should be able to contrast the valence bond and molecular orbital theory. Important parameters that help to describe bonding will be discussed and the students must be able to define and apply these terms in a qualitative way. Students will receive an introduction to solids and understand the main classes of solids and how they differ.
* Students will become familiar with chemical descriptions of matter. What matter is made up of, how it can be organised into the periodic table and how we can start to understand it from a scientific perspective.
* Students will learn about organic compounds, their structures, how they are named and understanding important functional groups.

Skills

Learners are expected to demonstrate the following on completion of the module:
* Ability to write and predict atomic structure and properties.

Assessment

Exam session Winter

Assessment Profile Element type Element weight (%)
1. Quiz 20%

2. Final Exam, 2 hours 3 questions, Either Q1 or Q2, plus Q3 and Q4. 80%

Course Requirements:
* Quiz on units 1&2.
* Module pass at 40%.