Lecturer: Dr Fabio Cucinotta, Dr Agnieszka Bronowska
Owning School: Natural and Environmental Sciences
Teaching Location: Newcastle City Campus
Semesters
Semester 1 Credit Value:
20
ECTS Credits:
10.0
Aims
To explain the energetics and dynamics of chemical reactions in terms of detailed molecular behaviour; to provide an understanding of chemical nanoscience, and to review selected advanced experimental techniques. To practise and develop skills in molecular modelling.
Outline Of Syllabus
Energetics and Dynamics
Dr F Cuccinotta
1 Molecular photophysics
2 Potential energy surfaces
3 Radiative decay
4 Nonradiative processes
5 Energy-gap law
6 Isomerisation
7-8 Energy transfer
9 Spin restriction
10-11 Marcus theory
12 Revision seminar
Molecular Modelling
Dr A Bronowska
1 Introduction to molecular nergeti: types, scope, limitations
2 Molecular force fields: theoretical basis, construction, examples, applications, limitations
3 Some quantum concepts: Molecular Orbitals (Mos) and LCAO; self-consistency
4 Semi-empirical methods: PM3, AM1
5 Basis functions: building accurate descriptions of Mos.
6 Ab initio quantum chemistry: Hartree Fock and Density functional theories
7 Ab initio quantum chemistry in practice: examples.
8 Revision Seminar
Chemical Nanoscience
Dr BR Horrocks
1 Introduction to Chemical Nanoscience
2-3 Nanomaterials – an overview. Dimensionality, fabrication/synthesis, electronic structure
4 quantum Confinement
5-6 Scanning Probe Microscopies
7 Spectroscopic methods for surfaces analysis
8-10 Nanoparticles, nanowires/tubes and nanoscale films
11 Application of nanomaterials
12 Revision session
Teaching Methods
Teaching Activities
Category
Activity
Number
Length
Student Hours
Comment
Guided Independent Study
Assessment preparation and completion
3
5:00
15:00
Writing up dry lab reports
Guided Independent Study
Assessment preparation and completion
32
0:50
26:40
Revision for end of semester examination
Guided Independent Study
Assessment preparation and completion
1
2:00
2:00
End of semester examination
Scheduled Learning And Teaching Activities
Lecture
32
1:00
32:00
N/A
Scheduled Learning And Teaching Activities
Practical
3
3:00
9:00
3x3h Dry labs take place over 3 weeks
Guided Independent Study
Independent study
1
115:20
115:20
Background reading and practice past paper examination questions
Total
200:00
Jointly Taught With
Code
Title
CHY3206
Advanced Physical Chemistry
Teaching Rationale And Relationship
Students acquire knowledge and understanding through lectures, seminars and dry labs. They learn to plan and organise their work with the lectures provide the necessary opportunity to practice note-taking.
Assessment Methods
The format of resits will be determined by the Board of Examiners
Exams
Description
Length
Semester
When Set
Percentage
Comment
Written Examination
120
1
A
70
N/A
Exam Pairings
Module Code
Module Title
Semester
Comment
CHY3206
Advanced Physical Chemistry
1
N/A
Other Assessment
Description
Semester
When Set
Percentage
Comment
Practical/lab report
1
M
30
Class test on dry labs
Assessment Rationale And Relationship
The examination will test the student's knowledge and understanding of the principles of physical chemistry.
The modelling component is examined by practical write-ups and the knowledge outcomes by unseen class test (45 min).
Study Abroad students may request to take their exam before the semester 1 exam period, in which case the format of the paper may differ from that shown in the MOF. Study Abroad students should contact the school to discuss this.
