CHY3206 : Advanced Physical Chemistry
- Offered for Year: 2017/18
- Module Leader(s): Dr Ben Horrocks
- Lecturer: Dr Fabio Cucinotta, Dr Agnieszka Bronowska
- Practical Supervisor: Dr Cristina Navarro Reguero
- Owning School: Natural and Environmental Sciences
- Teaching Location: Newcastle City Campus
Semester 1 Credit Value:
To explain the energetic 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.
To practise and develop skills in practical physical chemistry.
Outline Of Syllabus
Energetics and Dynamics
Dr F Cucinotta
1 Molecular photophysics
2 Potential energy surfaces
3 Radiative decay
4 Nonradiative processes
5 Energy-gap law
7-8 Energy transfer
9 Spin restriction
10-11 Marcus theory
12 Revision seminar
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
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
Physical Chemistry Laboratory Course
Dr C Navarro-Reguero
Each student pair is assigned four experiments from the following list:
1 Computational chemistry
2 Scanning tunneling microscopy
3 A conductive polymer: polypyrrole
4 UV/VIS spectroscopy
5 A dye-based photovoltaic cell
6 Fluorescence titration of DNA
7 Enzyme kinetics – urease inhibition
8 Determination of calcium using a potentiometric sensor
9 Infrared spectroscopy of porous silicon
10 Investigation of the visible spectra of metal nanoparticles
|Guided Independent Study||Assessment preparation and completion||3||5:00||15:00||Writing up dry lab reports|
|Guided Independent Study||Assessment preparation and completion||4||6:00||24:00||Writing practical 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|
|Scheduled Learning And Teaching Activities||Practical||5||10:00||50:00||5x10h Practical sessions take place over 5 weeks|
|Guided Independent Study||Independent study||1||141:20||141:20||Background reading and practice past paper examination questions|
Jointly Taught With
|CHY3201||Advanced Physical Chemistry|
Teaching Rationale And Relationship
Students acquire knowledge and understanding through lectures and seminars (timetabled in lecture slots). They learn to plan and organise their work by way of seminars while the lectures provide the necessary opportunity to practice note-taking. In practical classes competencies in practical procedures, observation, record-keeping and report writing, will be taught and learnt.
The format of resits will be determined by the Board of Examiners
|CHY3201||Advanced Physical Chemistry||1||N/A|
|Practical/lab report||1||M||25||composed of several individual laboratory reports as specified in the practical course handbook|
|Practical/lab report||1||M||25||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).
The laboratory component practical involves the assessment of a complex selection of skills learnt in about 4 experiments per student, spread over the major areas of inorganic chemistry.
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.