Units

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Sample subject outline - Semester 2 2013

Note: Subject outlines often change before the semester begins. Below is a sample outline.

Rationale

The term spectroscopy includes atomic, molecular, and nuclear magnetic resonance spectroscopy and is of fundamental importance to analysis and structure elucidation in modern chemistry. Spectroscopic techniques are now widespread in scientific laboratories, including those involved in monitoring production of chemicals as well as those monitoring their safe use and disposal. An appreciation of both the principles and practice of spectroscopy is, therefore, essential for those contemplating a career in chemistry. Furthermore, the use of spectroscopic methods to elucidate molecular structure provides an excellent vehicle for training in the scientific method, particularly the logical application of experimental data to deduce the solution to a complex problem. Whilst the fundamental theoretical concepts will be dealt with in the early part of the unit, later emphasis will be on developing practical skills in problem solving, a skill of value to all fields of scientific and technological endeavour.

Aims

To provide the theoretical knowledge and practical and deductive skills to enable you to elucidate molecular structures by spectroscopic methods.

Objectives

On successful completion of this unit, you should be able to:

1. Demonstrate your knowledge of the fundamental principles of mass spectrometry and molecular, infrared and nuclear magnetic resonance spectroscopy.
2. Analyse and critically interpret the data provided by these techniques and use them to elucidate the structure of organic compounds.
3. Formulate reasoned arguments to proceed from factual information to the solution of a complex structural problem.
4. Demonstrate skills in safe laboratory practices applied to the use of modern spectroscopic instruments.

Content

Molecular spectroscopy theory: spectral line width and intensity, dispersive and Fourier transform spectrometers, rotational spectroscopy, vibrational spectroscopy, vibrational-rotational spectroscopy, anharmonicity, Born-Oppenheimer approximation, electronic spectroscopy, Frank-Condon Principle, fates of electronic excited states, laser action, introduction to spectroscopic applications of symmetry and group theory. Ultraviolet spectroscopy: electronic transitions, lmax and molar absorptivity, chromophores, bathochromic and hypsochromic shifts, sampling. Mass spectrometry: principles of measurement, molecular ions, isotope ratios, molecular formula determination. The application of infrared spectroscopy to organic compounds: Hooke's law, classification of vibrations, group frequency tables, fundamental absorption bands, structural influences, effects of molecular association, conjugation, cumulation, a-substitution, ring and steric strain, applications to functional group analysis, sampling. Nuclear magnetic resonance: simple theoretical concepts, classification of nuclei, modern instrumentation, the shielding constant, 13C spectra - concept of magnetic environment, symmetry, advantages and limitations, 1H spectra, areas and integrals, chemical shifts, tabulated data, predictive calculations of chemical shifts, coupling, analysis of 1st order spectra, deducing connectivity relationships, sampling.

Approaches to Teaching and Learning

The lectures (26 hours, 2 hours per week) will explain the theoretical background to the various spectroscopic techniques and emphasise how deductive reasoning can be used to assign the structures of new or unknown substances. The unit will encourage a critical approach to the use of spectroscopic information by presenting structural challenges of increasing complexity in order to demonstrate the importance and relevance of the more advanced problem solving techniques.

Lecture and textbook material will be reinforced by workshops (4 x 2 hours) in which you will be encouraged to develop your techniques of problem-solving in spectroscopy. These interactive sessions will allow a deeper exploration or revision of selected topics from the lecture program or the techniques used in the practical exercises. A computer-based workshop will be conducted immediately preceding the organic spectroscopy practical program. This workshop will assist you in planning your approach to the challenges of the practical work.

A practical program (24 hours, 8 x 3 hour sessions) will accompany the lecture course and will emphasise both the theoretical aspects and the problem solving nature of the subject. In the Interpretive Spectroscopy practical work you will be provided with unknown compounds to identify. This will be achieved using both chemical and spectroscopic procedures.

Assessment

Your progress will be assessed by a combination of practical reports, quizzes and a final examination.You will obtain feedback from staff during practical sessions and when marked reports and quizzes are returned to you. During the lectures and workshops, informal interaction with staff will allow you to gauge your progress in attaining the learning outcomes.

Assessment name: Laboratory/Practical
Description: Assessment of practical skills is by continuous assessment during laboratory sessions and by the submission of written practical reports. For Molecular Spectroscopy, these consist of written descriptions of procedures and interpretation of data. For the Interpretive Spectroscopy practical work, the reports consist of the tabulation of chemical and spectral observations followed by interpretation of the data and the presentation of a logical argument supporting the assignment of a proposed structure. Prompt feedback is given on your laboratory reports and this forms an important part of your learning process. Formative and Summative
Relates to objectives: Relates to learning outcomes:1 - 4.
Weight: 30%
Internal or external: Internal
Group or individual: Individual
Due date: Ongoing

Assessment name: Problem Solving Task
Description: Quizzes or short written assignments on the Lecture and Workshop topics. Feedback will be provided on your progress in developing the knowledge and skills required for success in this unit. Formative and Summative
Relates to objectives: Relates to learning outcomes:1 - 3.
Weight: 10%
Internal or external: Internal
Group or individual: Individual
Due date: In about week 4 & 8

Assessment name: Examination (Theory)
Description: Final Theory Examination. A written examination will be conducted during the examination period when you will be required to answer questions covering the theoretical lecture material and the elucidation of the structure of organic compounds from their spectroscopic data. Summative
Relates to objectives: Relates to learning outcomes:1-3
Weight: 60%
Internal or external: Internal
Group or individual: Individual
Due date: Exam Period

Academic Honesty

QUT is committed to maintaining high academic standards to protect the value of its qualifications. To assist you in assuring the academic integrity of your assessment you are encouraged to make use of the support materials and services available to help you consider and check your assessment items. Important information about the university's approach to academic integrity of assessment is on your unit Blackboard site.

A breach of academic integrity is regarded as Student Misconduct and can lead to the imposition of penalties.

Resource materials

Recommended textbooks:

1. Atkins P and De Paula J (2010) Atkins' Physical Chemistry, 9th Edition, Oxford Uni Press.

2. Bruice P.Y. (2011) Organic Chemistry, 6th Edition, Pearson Education.

3. Williams DH & Fleming I (2008) Spectroscopic Methods in Organic Chemistry, 6th edition, London: McGraw-Hill.

4. Zubrick TW The Organic Chem Lab Survival Manual, any Edition, John Wiley & Sons.

Several sets of structural problems will be provided during the semester with solutions available on the Blackboard site. Selected examples will also be covered in detail during the lecture program. The Blackboard site also contains several links to recommended Web sites providing both theoretical background and practice examples in structure elucidation by spectroscopic methods. Resource books containing useful information, tables of data and tutorial exercises will be provided.

Molecular Models:

Molecular Models may be purchased in a package with the textbook by Bruice.

Other references:

1. Banwell CN & McCash E (1994) Fundamentals of Molecular Spectroscopy, 4th edition, London: McGraw Hill.

2. Pavia DL, Lampman GM & Kriz GS (2001) Introduction to Spectroscopy, 3rd edition, Philadelphia: Saunders.

Risk assessment statement

The professional practice of Chemistry requires the safe handling of Hazardous Substances. A practical laboratory program is an important part of this unit, so you will be required to handle such substances. The chemicals and procedures used in this unit are deemed to be appropriate for students at this level of the course. You will be provided with a School Health and Safety Manual in this unit (or a pre-requisite unit). Health and Safety information and precautions relevant to the particular experiment are clearly explained in the Practical Manual. Having been provided with this information, it is your responsibility to read and comply with these instructions for the safety of yourself, your fellow students and staff.

Disclaimer - Offer of some units is subject to viability, and information in these Unit Outlines is subject to change prior to commencement of semester.

Last modified: 06-Feb-2013