CHEMY511-20A (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 the practical skills of running a Bruker Avance 400 MHz NMR spectrometer.
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Paper Structure

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The paper is taught through lectures (online) and practical training sessions on the NMR spectrometer. Practical sessions will take place in the NMR room at times as outlined below. Students need to attend ONE NMR 1 session and ONE NMR 2 session which can be chosen through Moodle. Additional time on the spectrometer will need to be individually booked by students as required. Some tutorials may also be scheduled if required. 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 NMR spectrometer to acquire 1D and 2D experiments of a quality that permits assignment of the structure of an unknown organic compound.
    • 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 NMR spectrometer to acquire 1D and 2D experiments of a quality that permits assignment of the structure of an unknown organic compound.
  • 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)
8 May 2020
4:30 PM
25
  • Other: Hand in to E3.06 (Michele Prinsep's office)
2. Assignment 2 (Practical)
12 Jun 2020
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 12 one hour lectures plus two 2 hour practical sessions learning the operation of the NMR spectrometer. 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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