Course coordinator
Professor Paul Bernhardt
Course overview
- Study period
- Semester 1, 2025 (24/02/2025 - 21/06/2025)
- Study level
- Undergraduate
- Location
- St Lucia
- Attendance mode
- In Person
- Units
- 2
- Administrative campus
- St Lucia
- Coordinating unit
- Chemistry & Molec Biosciences
The determination of molecular structure underpins all aspects of synthetic chemistry. There are many techniques available to determine the precise structure (connectivity, conformation, stereochemistry, chirality) of a molecule. X-ray crystallography is the most direct technique for molecular structure determination. Crystallography will be presented in this course in a series of lectures and problem based learning sessions. As a complement to the lecture material all students will undertake a computer based exercise as part of their assessment where they solve and refine a real crystal structure. Nuclear Magnetic Resonance (NMR) and mass spectrometry are used routinely in the characterisation of new and existing compounds. Simple 1-D and more sophisticated 2-D NMR experiments can lead to information that, if interpreted correctly, enable the assignment of connectivity and stereochemistry. The NMR section of this course will be presented as a series of lectures and problem solving sessions. An assignment using several spectroscopic techniques to assign the structure of an unknown compound will be part of the overall assessment of this section of the course. This course provides students with requisite skills and knowledge to characterise new or existing chemical compounds in a research or quality control/analytical laboratory setting.
Prior to 2018, the prerequisite knowledge for this course now in CHEM2054 was covered in CHEM2050/CHEM2901.
See 1.1ﾠCourse Details.
Course requirements
Assumed background
In addition to completion of first level Chemistry (CHEM1100 and CHEM1200), it is assumed that students have completed CHEM2054, which provides essential background to NMR spectroscopy. A sound knowledge of structure and bonding concepts in organic and coordinationﾠchemistry, including stereochemistry, is expected.ﾠﾠ
Prerequisites
You'll need to complete the following courses before enrolling in this one:
CHEM2054
Course contact
Course staff
Lecturer
Professor Paul Bernhardt
Associate Professor Shih-Chun Lo
Professor Mehdi Mobli
Timetable
The timetable for this course is available on the UQ Public Timetable.
Aims and outcomes
To understand the relevant theory underpinning the physical methods of X-ray crystallography, NMR spectroscopy, infrared and UV-vis spectroscopyﾠand mass spectrometry and to apply this knowledge in the determination of molecular structures of unknown chemical compounds.
Learning outcomes
After successfully completing this course you should be able to:
LO1.
Understand and be able to apply the principles of X-ray crystallography in the determination of molecular structure
LO2.
Understand and be able to apply the principles of NMR spectroscopy in the elucidation of molecular structure
LO3.
Use combinations of different spectroscopic techniques to identify an unknown chemical compound
LO4.
Become proficient in the use of modern crystallography and graphics software for the determination and interpretation of molecular structure.
Assessment
Assessment summary
| Category | Assessment task | Weight | Due date |
|---|---|---|---|
| Paper/ Report/ Annotation |
Crystal Structure Determination
|
20% |
2/05/2025 2:00 pm |
| Examination |
Crystallography Exam
|
25% |
4/04/2025 12:00 pm |
| Paper/ Report/ Annotation |
Spectroscopy Assignment
|
25% |
Computational assignment - 5% 16/05/2025 2:00 pm NMR assignment - 20% 30/05/2025 2:00 pm |
| Examination |
Spectroscopy Exam
|
30% |
End of Semester Exam Period 7/06/2025 - 21/06/2025 |
A hurdle is an assessment requirement that must be satisfied in order to receive a specific grade for the course. Check the assessment details for more information about hurdle requirements.
Assessment details
Crystal Structure Determination
- Hurdle
- Mode
- Written
- Category
- Paper/ Report/ Annotation
- Weight
- 20%
- Due date
2/05/2025 2:00 pm
- Learning outcomes
- L01, L04
Task description
Solution and refinement of the crystal structure of an unknown compound including a written report describing the structure and comparing it with similar compounds in the literature.
Use of Artificial Intelligence (AI) and Machine Translation (MT)
This task has been designed to be challenging, authentic and complex. Whilst students may use AI and/or MT technologies, successful completion of assessment in this course will require students to critically engage in specific contexts and tasks for which artificial intelligence will provide only limited support and guidance.
A failure to reference generative AI or MT use may constitute student misconduct under the Student Code of Conduct.
To pass this assessment, students will be required to demonstrate detailed comprehension of their written submission independent of AI and MT tools.
Hurdle requirements
Completion and submission of this assignment is essential for a grade higher than 3Submission guidelines
Submit electronically through the course submission portal on Blackboard.
Deferral or extension
You may be able to apply for an extension.
Crystallography Exam
- Hurdle
- Identity Verified
- In-person
- Mode
- Written
- Category
- Examination
- Weight
- 25%
- Due date
4/04/2025 12:00 pm
- Learning outcomes
- L01
Task description
Examination on the X-ray crystallography section of the course.
This will be an on-campus, invigilated exam.
Further details will be provided on Blackboard.
Use of Artificial Intelligence (AI) and Machine Translation (MT)
This assessment task is to be completed in-person. The use of generative Artificial Intelligence (AI) or Machine Translation (MT) tools will not be permitted. Any attempted use of AI or MT may constitute student misconduct under the Student Code of Conduct.
Hurdle requirements
See ADDITIONAL COURSE GRADING INFORMATION for the hurdle/s relating to this assessment item.Exam details
| Planning time | 10 minutes |
|---|---|
| Duration | 90 minutes |
| Calculator options | (In person) Casio FX82 series only or UQ approved and labelled calculator |
| Open/closed book | Closed Book examination - specified written materials permitted |
| Materials | One A4 sheet of handwritten notes, double sided, is permitted |
| Exam platform | Paper based |
| Invigilation | Invigilated in person |
Submission guidelines
Deferral or extension
You may be able to defer this exam.
Spectroscopy Assignment
- Hurdle
- Mode
- Written
- Category
- Paper/ Report/ Annotation
- Weight
- 25%
- Due date
Computational assignment - 5% 16/05/2025 2:00 pm
NMR assignment - 20% 30/05/2025 2:00 pm
- Learning outcomes
- L02, L03
Task description
Each student will be given sets of spectral data that they will analyse using the NMR software package MResNova and use to verify the NMR chemical shift assignments/structure of a known compound selected from a medicinal chemistry library. The data analysis is a group assignment, but each student writes an individual report. Further details will be advised in class and on Blackboard.
Use of Artificial Intelligence (AI) and Machine Translation (MT)
This task has been designed to be challenging, authentic and complex. Whilst students may use AI and/or MT technologies, successful completion of assessment in this course will require students to critically engage in specific contexts and tasks for which artificial intelligence will provide only limited support and guidance.
A failure to reference generative AI or MT use may constitute student misconduct under the Student Code of Conduct.
To pass this assessment, students will be required to demonstrate detailed comprehension of their written submission independent of AI and MT tools.
Hurdle requirements
Completion and submission of this assignment is essential for a grade higher than 3Submission guidelines
Submit electronically through the course submission portal on Blackboard.
Deferral or extension
You may be able to apply for an extension.
Spectroscopy Exam
- Hurdle
- Identity Verified
- In-person
- Mode
- Written
- Category
- Examination
- Weight
- 30%
- Due date
End of Semester Exam Period
7/06/2025 - 21/06/2025
- Learning outcomes
- L02
Task description
Written exam on the spectroscopy section of the course.
This will be an on-campus, invigilated exam.
Use of Artificial Intelligence (AI) and Machine Translation (MT)
This assessment task is to be completed in-person. The use of generative Artificial Intelligence (AI) or Machine Translation (MT) tools will not be permitted. Any attempted use of AI or MT may constitute student misconduct under the Student Code of Conduct.
Hurdle requirements
See ADDITIONAL COURSE GRADING INFORMATION for the hurdle/s relating to this assessment item.Exam details
| Planning time | 10 minutes |
|---|---|
| Duration | 90 minutes |
| Calculator options | (In person) Casio FX82 series only or UQ approved and labelled calculator |
| Open/closed book | Closed Book examination - specified written materials permitted |
| Materials | One A4 sheet of handwritten notes, double sided, is permitted |
| Exam platform | Paper based |
| Invigilation | Invigilated in person |
Submission guidelines
Deferral or extension
You may be able to defer this exam.
Course grading
Full criteria for each grade is available in the Assessment Procedure.
| Grade | Description |
|---|---|
| 1 (Low Fail) |
Absence of evidence of achievement of course learning outcomes. Course grade description: Some engagement with the assessment tasks; however no demonstrated evidence of understanding of the concepts in the field of study The minimum percentage required for this grade is: 0% |
| 2 (Fail) |
Minimal evidence of achievement of course learning outcomes. Course grade description: Inability to apply knowledge and skills The minimum percentage required for this grade is: 30% |
| 3 (Marginal Fail) |
Demonstrated evidence of developing achievement of course learning outcomes Course grade description: Emerging ability to apply knowledge and skills The minimum percentage required for this grade is: 45% |
| 4 (Pass) |
Demonstrated evidence of functional achievement of course learning outcomes. Course grade description: Acceptable application of knowledge and skills The minimum percentage required for this grade is: 50% |
| 5 (Credit) |
Demonstrated evidence of proficient achievement of course learning outcomes. Course grade description: Effective application of knowledge and skills The minimum percentage required for this grade is: 65% |
| 6 (Distinction) |
Demonstrated evidence of advanced achievement of course learning outcomes. Course grade description: Extensive application of knowledge and skills The minimum percentage required for this grade is: 75% |
| 7 (High Distinction) |
Demonstrated evidence of exceptional achievement of course learning outcomes. Course grade description: Original, novel and/or creative application of knowledge and skills The minimum percentage required for this grade is: 85% |
Additional course grading information
Assessment Hurdles
In order to pass this course, you must meet ALL of the following requirements (if you do not meet these requirements, the maximum grade you will receive will be a 3):
- You must obtain an overall course mark of 50% or more; and
- You must obtain a weighted average mark of 40% or more across the two examination components; and
- You must obtain a minimum weighted average mark of 40% across all other non-examination course assessment items.
Supplementary assessment
Supplementary assessment is available for this course.
A supplementary assessment will be arranged by the course coordinator appropriate to the learning objectives that have not been met.
Additional assessment information
Assessment Submission
It is the responsibility of the student to ensure the on time, correct and complete submission of all assessment items.
Students are responsible for retaining evidence of submission by the due date for all assessment items, in the required form (for example, screenshot, email, photo, and an unaltered copy of submitted work).
In the case of a Blackboard outage, contact the Course Coordinator as soon as possible to confirm the outage with ITS.
Assessment/Attendance
Notify your Course Coordinator as soon as you become aware of any issue that may affect your ability to meet the assessment/attendance requirements of the course. The my.UQ website and the Course Profile (CP) for your course provide information about your course requirements, the rules associated with your courses and services offered by the University.
A note for repeating students in this course
Only learning activities and/or assessment items completed during the study period of enrolment, including any approved extensions, may contribute to your grade in this course. The whole or partial use of assessment items previously submitted for the same course, for a course at any institution, or for published material, is not permitted without written permission of the Course Coordinator.
Important Note
Turnitin is to be used for assignments/laboratory reports to check for plagiarism. Penalties can be severe for plagiarism.
The University has adopted the following definition of plagiarism: Plagiarism is the act of misrepresenting as one's own original work the ideas, interpretations, words or creative works of another either intentionally or unintentionally. These include published and unpublished documents, designs, music, sounds, images, photographs, computer codes and ideas gained through working in a group. These ideas, interpretations, words or works may be found in print and/or electronic media.
Students should read the UQ Student Integrity and Misconduct Policy.
Learning resources
You'll need the following resources to successfully complete the course. We've indicated below if you need a personal copy of the reading materials or your own item.
Library resources
Find the required and recommended resources for this course on the UQ Library website.
Additional learning resources information
Blackboard
Additional material (including the Turnitin portal) may be found on the course Blackboard site at learn.uq.edu.au
Please check the Announcements section of the Blackboard site regularly for information updates.
Learning activities
The learning activities for this course are outlined below. Learn more about the learning outcomes that apply to this course.
Filter activity type by
Please select
| Learning period | Activity type | Topic |
|---|---|---|
Multiple weeks |
Tutorial |
Problem Based Learning Session A single two hour session each week will be dedicated to problem based work covered in lectures that week. It is essential that students are familiar with lecture material covered during that week for this session to be of benefit. Learning outcomes: L01, L02, L03, L04 |
Lecture |
Core content Three one hour lectures will be delivered each week where the fundamental principles of each topic will be presented and explained. Learning outcomes: L01, L02, L03 |
Policies and procedures
University policies and procedures apply to all aspects of student life. As a UQ student, you must comply with University-wide and program-specific requirements, including the:
- Student Code of Conduct Policy
- Student Integrity and Misconduct Policy and Procedure
- Assessment Procedure
- Examinations Procedure
- Reasonable Adjustments - Students Policy and Procedure
Learn more about UQ policies on my.UQ and the Policy and Procedure Library.