CHEMY511-21A (HAM)

Structural Characterisation I

15 Points

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

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: cheryl.ward@waikato.ac.nz

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Paper Description

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This paper is a mixture of theory and practice on the use of NMR spectroscopy and mass spectrometry to characterise organic structures and is regarded as an extension of the principles learnt at undergraduate level. Students will learn basic theory behind electron impact mass spectrometry and NMR spectroscopy and interpretation of mass spectra and various 1 and 2D NMR experiments such as DEPT, SELTOCSY, SELNOESY, COSY, TOCSY, HSQC, HMBC, NOESY & ROESY together with what parameters can be manipulated to optimise these experiments. They will also acquire a mass spectrum of their unknown compound.

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Paper Structure

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The paper is taught through lectures (online). There may be practical sessions on how to run the NMR spectrometer (status dependent) and if so, these will be scheduled later. There will be a theoretical and a practical assignment. For the theoretical assignment, students will be given NMR spectra to interpret and for the practical assignment, students will be given an unknown compound and will process and interpret the supplied NMR data of their compound to elucidate the structure. Times to learn how to run the GCMS will be arranged once Assignment 2 has been given out.
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Learning Outcomes

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Students who successfully complete the paper should be able to:

  • ****
    • Operate a GC-MS to acquire mass spectral data.
    • Interpret 1D and 2D spectra to assign the structure of an unknown organic compound.
    • Predict electron impact mass spectra of organic compounds.
    • Interpret electron impact mass spectra to help assign the structure of an unknown organic compound.
    • Apply interpretive skills acquired to other assigned structural elucidation problems.
    Linked to the following assessments:
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Assessment

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  • Operate a GC-MS to acquire mass spectral data.
  • Interpret 1D and 2D spectra to assign the structure of an unknown organic compound.
  • Predict electron impact mass spectra of organic compounds.
  • Interpret electron impact mass spectra to help assign the structure of an unknown organic compound.
  • Apply interpretive skills acquired to other assigned structural elucidation problems.
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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. Assignment 1 (Theory)
9 Apr 2021
4:30 PM
25
  • Other: Hand in to E3.06 (Michele Prinsep's office)
2. Assignment 2 (Practical)
4 Jun 2021
4:30 PM
75
  • Other: Hand in to E3.06 (Michele Prinsep's office)
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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Recommended Readings

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The library has a number of texts on NMR and on organic spectroscopy.

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Online Support

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All lecture notes will be available on Moodle.

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Workload

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The total workload expected for this paper is 150 hours of which there are 8 one hour lectures plus practical sessions learning the operation of the GCMS. The remaining hours are to be managed by the student to complete the internal assessment items.
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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 or BSc(Hons) programme.

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Prerequisite(s)

Prerequisite papers: CHEMY301 or CHEM312 and CHEM314

Corequisite(s)

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Restriction(s)

Restricted papers: CHEM511

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