CH3AN1-X-ray Techniques & Databases in Analytical Chemistry

Module Provider: Chemistry
Number of credits: 10 [5 ECTS credits]
Level:6
Terms in which taught: Autumn term module
Pre-requisites: CH2AN3 Analytical Chemistry CH2IN1 Further Inorganic Chemistry
Non-modular pre-requisites:
Co-requisites:
Modules excluded:
Current from: 2018/9

Module Convenor: Dr Ann Chippindale

Email: a.m.chippindale@reading.ac.uk

Type of module:

Summary module description:
The students will gain an understanding of the use of X-ray techniques in determining crystal structures and analysing materials by single-crystal and powder X-ray diffraction. The techniques will be compared with those used in neutron-diffraction studies. Extraction of structural information from crystallographic databases will also be studied.

Aims:
The students will gain an understanding of the use of X-ray techniques in determining crystal structures and analysing materials by single-crystal and powder X-ray diffraction. The techniques will be compared with those used in neutron-diffraction studies. In addition, extraction of structural information from crystallographic databases will also be studied.

Assessable learning outcomes:
Students should be able to:
• Describe and discuss the subject matter of the module and explain the concepts within it.
• Critically examine questions raised in workshops and analyse numerical and other problems.

Additional outcomes:
The students will develop problem-solving and numeracy skills through workshops.

Outline content:
Autumn Term:
C J Cardin (5 lectures +1x2 hour lab visit (in groups) + 1 hour tutorial) Structures of crystalline solids. Crystal systems, point and translational symmetry. Bravais lattices, Miller indices, fractional coordinates. Fundamentals of diffraction by lattices – Bragg Law and its derivation, atomic scattering factors. Introduction to complete structure determination: methods of overcoming the phase problem.
Lab visit : 20-30 minute tour of the CAF Diffraction Laboratory in groups of 10-12, possibly in tutorial groups.

A M Chippindale (5 lectures + 4 x 1-hour workshop) Databases in Analytical Chemistry
- searching and use of crystallographic databases.
The course will consist of 5 lectures describing the principles of database design and searching. There will be 4 hours of computer practical involving database searching to illustrate features of the course, together with assessed problems.
Databases will include the Cambridge Crystallographic Database (CSD) and the Inorganic Chemistry Structural Database (ICSD). Search techniques will be described.

A M Chippindale (3 lectures + 2 x 2-hour workshop) Powder X-Ray Methods in Analysis
Powder X-ray diffraction, uses in analytical chemistry, indexing of powder X-ray diffraction patterns and lattice parameter determination. Peak intensities related to structure factors.

A M Chippindale (2 lectures) Neutron Diffraction Techniques. Comparison with information obtained from X-ray studies.

Brief description of teaching and learning methods:
15 x 1 hour lectures + 8 hours of related workshops + 1 hour tutorial, 1h lab visit. 2 revision lectures in summer
Practical computer work (4 hours) associated with chemical databases.

Contact hours:
  Autumn Spring Summer
Lectures 14 2
Tutorials 1
Demonstration 1
Practicals classes and workshops 8
Guided independent study 74
       
Total hours by term 98.00 2.00
       
Total hours for module 100.00

Summative Assessment Methods:
Method Percentage
Written exam 70
Set exercise 30

Summative assessment- Examinations:
1.5 hours.

Summative assessment- Coursework and in-class tests:
Coursework.
Students will attend workshops on the material covered in this module for which attendance is compulsory. In databases course, students will be assessed on a number of searching problems.
A tutorial will also form part of the assessment for this module.

Relative percentage of coursework: 30%
of which Databases 20% and 10% tutorial work
End of year exam 70%
Submission dates: Database problems to be submitted by Thursday of week 11 Autumn term

Formative assessment methods:

Penalties for late submission:
The Module Convener will apply the following penalties for work submitted late:

  • where the piece of work is submitted after the original deadline (or any formally agreed extension to the deadline): 10% of the total marks available for that piece of work will be deducted from the mark for each working day[1] (or part thereof) following the deadline up to a total of five working days;
  • where the piece of work is submitted more than five working days after the original deadline (or any formally agreed extension to the deadline): a mark of zero will be recorded.

  • The University policy statement on penalties for late submission can be found at: http://www.reading.ac.uk/web/FILES/qualitysupport/penaltiesforlatesubmission.pdf
    You are strongly advised to ensure that coursework is submitted by the relevant deadline. You should note that it is advisable to submit work in an unfinished state rather than to fail to submit any work.

    Assessment requirements for a pass:
    A mark of 40% overall.

    Reassessment arrangements:
    Reassessment will comprise of an examination worth 80% and a coursework assessment worth 20%.

    Final year students are not eligible to resit this module unless they have failed their degree programme overall.

    Additional Costs (specified where applicable):

    Last updated: 20 April 2018

    THE INFORMATION CONTAINED IN THIS MODULE DESCRIPTION DOES NOT FORM ANY PART OF A STUDENT'S CONTRACT.

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