Form 20
Version 3.0 (2007/2008)
Heriot-Watt University - Module Descriptor Template (RAY)
Module Title
Atomic & Molecular Structure & Chemical Bonding
School
Engineering and Physical Sciences
Module
Co-ordinator
Dr J.H. Cameron
SCQF
Level
8
Module
Code
1. Pre-requisites
Minimum D grade in Stage 1 Chemistry modules, or the equivalent
2. Linked Modules
(specify if synoptic)
3. Excluded Modules
Chemistry of the Elements (synoptic)
4. Replacement Module
Code:
6. Degrees for which this
is a core module
7. Aims
Date Of Replacement:
All Chemistry degrees
5.
B18IA
Availability as an
Elective
Semester
Yes

1
On or OffCampus
Credits
On
15
No
The module aims to:



Introduce the concepts of symmetry and group theory by reference to the shapes of main group compounds
Provide a basic understanding of the structures and properties of some simple main group compounds through the application of molecular orbital
theory.
Provide an introduction to quantum mechanics and quantum chemistry
8. Syllabus








Principles of Symmetry: Symmetry Operations and Symmetry Elements; Rotational Symmetry; Planes of symmetry - horizontal (h) and vertical planes (v or d);
Centre of Inversion; Improper Rotation
Group Theory: Point Groups – definition; Assignment of molecules to specific groups; Representations of Symmetry Operations; Character Tables; Mulliken
Symbols; Reducible Representations
Revision of Atomic Structure: nature of the electron; shapes and phase of atomic orbitals, electronic configurations of atoms, Pauli and Aufbau Principles; Hund’s
Rule.
Simple molecular orbital theory: LCAO; 
 molecular orbitals; electronic structure of H2 and He2, molecular orbital energy level diagrams.
Application of molecular orbital theory to diatomic molecules: homonuclear systems - Li2 to Ne2; heteronuclear systems - CH to FH, CO and NO.
Application of molecular orbital theory to polyatomic molecules: BeH2 and OH2, Walsh Diagrams
Elementary Quantum Mechanics: Heisenberg’s uncertainty principle, de Broglie’s relationship and wave-particle duality of light and matter; solution of the wave
equation for the ‘particle in a box’
Principles of Quantum Chemistry: Eigenfunctions; eigenvalues; normalisation; orthogonality; the hydrogen atom; Born-Oppenheimer approximation; LCAOs;
Variation Principle; secular determinants; ab-initio versus semi-empirical methods
1/3
Form 20
Version 3.0 (2007/2008)
Heriot-Watt University - Module Descriptor Template (RAY)
Module Title
Atomic & Molecular Structure & Chemical Bonding
School
Engineering and Physical Sciences
Module
Co-ordinator
Dr J.H. Cameron
SCQF
Level
8
Module
Code
B18IA
Semester
1
On or OffCampus
Credits
On
15
9. Learning Outcomes (HWU Core Skills: Employability and Professional Career Readiness)
Subject Mastery
Understanding, Knowledge and Cognitive Skills
Scholarship, Enquiry and Research (Research-Informed Learning)
On completion of this module, the learner will be able to:
 Demonstrate knowledge and understanding of concepts and principles of elementary quantum mechanics
 Consider critically the application of quantum chemistry to the molecular structure and bonding
 Use fundamental principles to solve both qualitative and numerical problems
 Display a critical understanding of the concepts, theories and principles discussed in the module
 Integrate previous knowledge from across all of chemistry with the topics discussed in the module
 Analyse, evaluate and interpret experimental evidence of chemistry
 Recognise the range of symmetry operations and elements and to be able to identify them within a wide range of molecules
 Assign point groups to molecules and understand and be able to interpret character tables
 Set up reducible representations and from these produce irreducible representations
 Demonstrate a knowledge of atomic configurations, the rules governing these as well as the underlying physical concepts
underpinning these rules
 Demonstrate an understanding of simple molecular orbital theory
 Apply molecular orbital theory to the electronic structure of homo- & hetero-diatomic molecules & some simple triatomic molecules
 Relate the electronic structure of these molecules to their physical properties.
Personal Abilities Industrial, Commercial & Professional Practice
Autonomy, Accountability & Working with Others Communication, Numeracy & ICT
Personal abilities are embedded in the module. The module provides the opportunity to :
 Demonstrate problem-solving skills and the ability to critically evaluate ideas and information
 Manage time effectively, work to deadlines and prioritise workloads
 Communicate complex ideas and information effectively to a group of peers
 Use ICT skills with on-line materials, assessments (formative and summative) and web links to support the learning process
 Apply strategies for appropriate selection of relevant information from a wide source and large body of knowledge
 Practise the use of standard methods in the solution of routine chemical problems within familiar contexts
 Exercise some initiative and independence in carrying out defined activities
 Critically use mathematical methods to analyse various chemical spectroscopy variables
 Interpret, use and evaluate a wide range of data to solve problems of both a fundamental and analytical nature
 Evaluate numerical and graphical data and apply them to the solution of chemical problems
 Manage resources in defined areas of activity
 Work with peers in small groups in the discussion of chemical problems
10. Assessment Methods
11. Re-assessment Methods
Method
Duration of Exam
(if applicable)
Weighting (%)
Synoptic modules?
Method
Duration of Exam
(if applicable)
2/3
Form 20
Version 3.0 (2007/2008)
Heriot-Watt University - Module Descriptor Template (RAY)
Module Title
Atomic & Molecular Structure & Chemical Bonding
School
Engineering and Physical Sciences
Module
Co-ordinator
Dr J.H. Cameron
SCQF
Level
8
Synoptic Examination
Class test
Continuous Assessment
Laboratory Work
12. Date and Version
Date of Proposal
27 August, 2007
3h
2h
Date of Approval by
School Committee
50%
15%
15%
20%
Module
Code
B18IB
B18IA
Semester
1
Synoptic Examination (100%)
Date of
Implementation
15 September, 2008
On or OffCampus
Credits
On
15
3h
Version
Number
1.0
3/3