CHEMY512-20B (HAM)

Structural Characterisation II

15 Points

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Division of Health Engineering Computing & Science
School of Science
Chemistry and Applied Physics

Staff

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Convenor(s)

Graham Saunders

Graham Saunders
4092
CD.3.01
See Moodle
graham.saunders@waikato.ac.nz

Lecturer(s)

Bill Henderson

Bill Henderson
4656
E.3.21
See Moodle
bill.henderson@waikato.ac.nz

Administrator(s)

Placement/WIL Coordinator(s)

Tutor(s)

Student Representative(s)

Lab Technician(s)

Librarian(s)

: cheryl.ward@waikato.ac.nz

You can contact staff by:

  • Calling +64 7 838 4466 select option 1, then enter the extension.
  • Extensions starting with 4, 5, 9 or 3 can also be direct dialled:
    • For extensions starting with 4: dial +64 7 838 extension.
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    • For extensions starting with 3: dial +64 7 2620 + the last 3 digits of the extension e.g. 3123 = +64 7 262 0123.
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Paper Description

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This 15 point paper covers advanced topics in the area of structural analysis.
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Paper Structure

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Topics

X-ray Crystallography (single crystal X-ray diffraction). Theory and experimental considerations, how to solve and refine crystal structures, interpretation and misinterpretation. Some basic training on how to solve and refine a structure.

Electrospray Mass Spectrometry Practical training on how to record a spectrum using the electrospray mass spectrometer. (W. Henderson)
Note: If the mass spectrometer is unavailable, an alternative to the practical component will be sought.

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Learning Outcomes

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Students who successfully complete the paper should be able to:

  • X-ray crystallography

    The course provides an introduction to the theory and practice of X-ray crystallography. At the end of the course the student should be able to describe and explain the theoretical background to obtaining a diffraction pattern and obtaining a structure from this. The student should also be able to interpret and assess structures obtained by X-ray diffraction, in particular being able to avoid over- and mis-interpretation. This will be assessed by an examination and an assignment involving the solution and refinement of an easily solved structure. At the end of the paper a successful student should have the basis to be able to undergo further training in crystallography, but won't have sufficient training to be able to perform crystal structure determinations alone .

    Linked to the following assessments:
  • Electrospray mass spectrometry

    Produce a spectrum of an assigned compound, with appropriate consideration and implementation of correct choice of ion mode, method, solvent, sample preparation technique, ionisation aids, and ionisation conditions.

    Interpret ESI mass spectra, with a focus on inorganic compounds, with a focus on m/z and isotope pattern matching.

    Linked to the following assessments:
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Assessment

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Assessment Components

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The internal assessment/exam ratio (as stated in the University Calendar) is 100:0. There is no final exam. The final exam makes up 0% of the overall mark.

The internal assessment/exam ratio (as stated in the University Calendar) is 100:0 or 0:0, whichever is more favourable for the student. The final exam makes up either 0% or 0% of the overall mark.

Component DescriptionDue Date TimePercentage of overall markSubmission MethodCompulsory
1. X-ray crystallography assignment 1
21 Aug 2020
4:30 PM
15
  • Email: Lecturer
2. X-ray crystallography assignment 2
9 Oct 2020
4:30 PM
20
  • Email: Lecturer
3. Mass Spectrometry Instrument use
21 Sep 2020
5:00 PM
10
  • Email: Lecturer
4. Mass spectrometry Interpretation of Spectra 1
28 Sep 2020
5:00 PM
7.5
  • Email: Lecturer
5. Mass spectrometry Interpretation of Spectra 2
12 Oct 2020
5:00 PM
7.5
  • Email: Lecturer
6. Exam
40
Assessment Total:     100    
Failing to complete a compulsory assessment component of a paper will result in an IC grade
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Required and Recommended Readings

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Required Readings

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Reading materials will be provided by the lecturers either through Moodle, or at lectures.
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Online Support

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Some lecture notes will be available on Moodle.

Important announcements will be made on Moodle, and course participants are required to regularly access their e-mail account to receive these messages. Announcements may alternatively be made in lectures; any student who has missed a lecture should consult the lecturer concerned for any missed important information.

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Workload

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150 hours including lectures, training and personal study
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Linkages to Other Papers

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This paper can be taken in conjunction with other 500-level papers in Chemistry (or other approved subject areas) as part of an overall MSc, MEnvSci, MSc(Tech), MSc(Research) or BSc(Hons) programme.
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Prerequisite(s)

Prerequisite papers: CHEMY303 or CHEM311 and CHEM313

Corequisite(s)

Equivalent(s)

Restriction(s)

Restricted papers: CHEM524

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