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Applied Spectroscopy

Title
Applied Spectroscopy
Semester
E2022
Master programme in
Chemical Biology
Type of activity

Course

Teaching language
English
Study regulation

Read about the Master Programme and find the Study Regulations at ruc.dk

Læs mere om uddannelsen og find din studieordning på ruc.dk

REGISTRATION AND STUDY ADMINISTRATIVE
Registration

Sign up for study activities at stads selvbetjeningwithin the announced registration period, as you can see on the Studyadministration homepage.

When signing up for study activities, please be aware of potential conflicts between study activities or exam dates.

The planning of activities at Roskilde University is based on the recommended study programs which do not overlap. However, if you choose optional courses and/or study plans that goes beyond the recommended study programs, an overlap of lectures or exam dates may occur depending on which courses you choose.

Number of participants
ECTS
5
Responsible for the activity
Torben Lund (tlund@ruc.dk)
William Goldring (goldring@ruc.dk)
Anders Malmendal (amalm@ruc.dk)
Head of study
Anders Malmendal (amalm@ruc.dk)
Teachers
Study administration
INM Studieadministration (inm-studieadministration@ruc.dk)
Exam code(s)
U60043
ACADEMIC CONTENT
Overall objective

Spectroscopic methods play an important role in the analysis and identification of molecules and their structures. Nuclear Magnetic Resonance (NMR), Infra-red spectroscopy (IR) and mass spectrometry (MS) are used to characterise a diverse range of molecules, many of which are derived from a wide variety of sources or used in numerous applications. Some examples include molecules isolated from natural plants, animals and other biological sources that possess important biological activity, are involved in the discovery and development of medicines, or are the products of organic chemistry reactions.

The central theme of this course is the application of spectroscopic techniques for the structural analysis and identification of organic and bioorganic molecules including macromolecules.
During lectures the students will get acquainted with the theories behind the methods. The focus will be on the interpretation of spectra for the identification or characterisation of known and unknown molecules.

Detailed description of content

The central theme of this course is the application of spectroscopic techniques for the structural analysis and identification of organic molecules.

During lectures, the applications of one- and two-dimensional proton and carbon Nuclear Magnetic Resonance (NMR) spectroscopy and electron impact mass spectrometry (EI-MS) are described and illustrated.

The underlying theory and worked examples discussed in class will facilitate the interpretation of spectra for the identification or characterization of known and unknown molecules of varying degrees of complexity.

Furthermore, advanced applications of these techniques will be introduced and discussed in the context of difficult to solve molecular structure assignment and determination problems. Throughout the course, students will therefore analyze and discuss different types of spectra recorded for a number of organic molecules, and learn how to interpret the data to reveal detailed structural information.

This will enhance an understanding of the theory and concepts described, and reveal the power of the spectroscopic methods when used in combination.

Detailed Teaching Objectives and Learning Outcomes

After successful completion of the course the student will be able to demonstrate and apply:

Knowledge of

  • Fundamental NMR and MS theory, together with the concepts of wavenumber, chemical shift and coupling, and fragmentation, respectively.

  • The typical position and pattern of NMR absorptions, and MS fragmentation, in relation to compound structure and the influence of functional groups.

  • Advanced methods and applications for the determination of molecular structure.

Skills in

  • Interpretation and analysis of NMR and mass spectra for the identification of functional groups, fragments, stereochemistry, bonding arrangement and overall structures in organic molecules.

  • Solving moderate to complex structure identification problems.

  • Problem-solving, independent learning and the application of methods to solve unfamiliar problems.

Learning outcomes:

  • Understand the factors that influence wavenumber, chemical shift and coupling patterns, and fragmentation.

  • Be able to examine an organic molecule and predict the chemical shift and splitting pattern of a given proton or carbon atom.

  • Interpret a spectrum, or combine information from a set of spectra, to confirm or identify moderately complex known and unknown organic structures.

  • Choose optimal spectroscopic techniques for molecular structure identification.

Course material and Reading list

Textbook:

D. L. Pavia, G. M. Lampman, et al., Introduction to Spectroscopy, 5th Ed., Cengage Learning, 2015.

Other materials:

Powerpoint slides and problems will be posted on Moodle during the course.

Overall plan and expected work effort

5 ECTS corresponds to 135 hours of work

The work load for the student:

Preparation time Contact time

  • Lectures, workshops and preparation: 55 hours

Study and preparation time:

  • Reading and self-revision problems: 20 hours

  • Theoretical problem preparation: 20 hours

  • Reading time: 20 hours

  • Revision and exam preparation: 20 hours

- Total 135 hours

Format
Evaluation and feedback

The course includes formative evaluation based on dialogue between the students and the teacher(s).

Students are expected to provide constructive critique, feedback and viewpoints during the course if it is needed for the course to have better quality. Every other year at the end of the course, there will also be an evaluation through a questionnaire in SurveyXact. The Study Board will handle all evaluations along with any comments from the course responsible teacher.

Furthermore, students can, in accordance with RUCs ‘feel free to state your views’ strategy through their representatives at the study board, send evaluations, comments or insights form the course to the study board during or after the course.

Programme

The course is organized around a combination of lectures (powerpoint, boardwork, and discussion) and problem solving workshops. See study.ruc.dk for a detailed coure schedule, and the course page on Moodle for a schedule, course description and other documents, together with lecture notes and problem solving questions.

Each lecture section is followed by a problem solving workshop, organized according to the course schedule on Moodle. Students will find questions associated with a particular lecture section either at the end of the set of lecture notes, or as separate files uploaded to the course Moodle page.

Students are expected to complete or attempt the problem solving questions associated with a particular workshop, before it takes place, and be prepared to present their solutions, in whole or in part, during the workshop.

ASSESSMENT
Overall learning outcomes

After successful completion of the course the student will be able to:

  • demonstrate and apply spectroscopic techniques together with the key concepts within these techniques

  • identify compounds based on typical positions and patterns from different functional groups

  • interpret and analyse spectra for the identification of functional groups, fragments and structures in organic molecules, together with biological molecules in pure form and as a part of mixtures

  • solve structure identification problems

  • apply those methods to solve unfamiliar problems

  • choose optimal spectroscopic techniques for molecular structure identification

  • translate between molecular structure and spectroscopic output.

Form of examination

Individual oral exam based on a portfolio.

The character limit of the portfolio is 2,400-24,000 characters, including spaces. Examples of written products are exercise responses, talking points for presentations, written feedback, reflections, written assignments. The preparation of the products may be subject to time limits.
The character limits include the cover, table of contents, bibliography, figures and other illustrations, but exclude any appendices.

Time allowed for exam including time used for assessment: 30 minutes.
The assessment is an overall assessment of the written product(s) and the subsequent oral examination.

Permitted support and preparation materials for the oral exam: Personal notes, own reports and assignments.

Assessment: 7-point grading scale.
Moderation: Internal co-assessor
Form of Re-examination
Same form as the ordinary exam
Type of examination in special cases
Examination and assessment criteria

The portfolio consists of a set of recorded spectra of an unknown compound and a written report of the data for each organised into tables, and including a detailed analysis and assignment of the signals.

The portfolio concludes with a solution to the identity of the unknown compound, including its structure and a discussion of functional groups and sub-structures derived from the analysis of the data.

Oral examination: the student will start with a summary of the findings of the portfolio followed by questions by the examiners.

Assesment criteria: It will be assessed to which degree the student

  • Is able to interpret and analyse IR, NMR and mass spectra for the identification of functional groups, fragments and structures in organic molecules.

  • Demonstrate the ability to solve structure identification problems.

  • Understands the factors that influence wavenumber, chemical shift and coupling patterns, and fragmentation.

  • Is able to examine an organic molecule and predict the chemical shift and splitting pattern of a given proton or carbon atom.

  • Interprets a spectrum, or combines information from a set of spectra, to confirm or identify moderate to complex unknown organic structures.

  • Chooses optimal spectroscopic techniques for molecular structure identification.

Oral examination: all the above and:

  • Presents and defends analysis and interpretation of the data

Whether the performance meets all formal requirements in regards to both written and oral exam

Exam code(s)
Exam code(s) : U60043
Last changed 16/05/2022

lecture list:

Show lessons for Subclass: 1 Find calendar (1) PDF for print (1)

Monday 17-10-2022 10:15 - 17-10-2022 12:00 in week 42
Applied Spectroscopy (CB)

Wednesday 19-10-2022 14:15 - 19-10-2022 16:00 in week 42
Applied Spectroscopy (CB)

Thursday 20-10-2022 08:15 - 20-10-2022 10:00 in week 42
Applied Spectroscopy (CB)

Monday 24-10-2022 10:15 - 24-10-2022 12:00 in week 43
Applied Spectroscopy (CB)

Wednesday 26-10-2022 14:15 - 26-10-2022 16:00 in week 43
Applied Spectroscopy (CB)

Thursday 27-10-2022 08:15 - 27-10-2022 10:00 in week 43
Applied Spectroscopy (CB)

Monday 31-10-2022 10:15 - 31-10-2022 12:00 in week 44
Applied Spectroscopy (CB)

Wednesday 02-11-2022 14:15 - 02-11-2022 16:00 in week 44
Applied Spectroscopy (CB)

Thursday 03-11-2022 08:15 - 03-11-2022 10:00 in week 44
Applied Spectroscopy (CB)

Monday 14-11-2022 10:15 - 14-11-2022 12:00 in week 46
Applied Spectroscopy (CB)

Wednesday 16-11-2022 14:15 - 16-11-2022 16:00 in week 46
Applied Spectroscopy (CB)

Thursday 17-11-2022 08:15 - 17-11-2022 10:00 in week 46
Applied Spectroscopy (CB)

Monday 21-11-2022 10:15 - 21-11-2022 12:00 in week 47
Applied Spectroscopy (CB)

Wednesday 23-11-2022 14:15 - 23-11-2022 16:00 in week 47
Applied Spectroscopy (CB) - please note: room in building 27

Thursday 24-11-2022 08:15 - 24-11-2022 10:00 in week 47
Applied Spectroscopy (CB) - please note: room in building 27

Monday 28-11-2022 10:15 - 28-11-2022 12:00 in week 48
Applied Spectroscopy (CB)

Wednesday 30-11-2022 14:15 - 30-11-2022 16:00 in week 48
Applied Spectroscopy (CB)

Thursday 01-12-2022 08:15 - 01-12-2022 10:00 in week 48
Applied Spectroscopy (CB)

Monday 05-12-2022 10:15 - 05-12-2022 12:00 in week 49
Applied Spectroscopy (CB)

Wednesday 07-12-2022 14:15 - 07-12-2022 16:00 in week 49
Applied Spectroscopy (CB)

Thursday 08-12-2022 08:15 - 08-12-2022 10:00 in week 49
Applied Spectroscopy (CB)

Monday 12-12-2022 10:15 - 12-12-2022 12:00 in week 50
Applied Spectroscopy (CB)

Wednesday 14-12-2022 14:15 - 14-12-2022 16:00 in week 50
Applied Spectroscopy (CB)

Thursday 15-12-2022 08:15 - 15-12-2022 10:00 in week 50
Applied Spectroscopy (CB)

Wednesday 21-12-2022 10:00 - 21-12-2022 10:00 in week 51
Applied Spectroscopy - Hand-in of portfolio (CB)

Monday 09-01-2023 08:15 - 09-01-2023 16:00 in week 02
Applied Spectroscopy - Exam (CB)

Tuesday 31-01-2023 10:00 - 31-01-2023 10:00 in week 05
Applied Spectroscopy - Hand-in of portfolio (reexam) (CB)

Thursday 23-02-2023 08:15 - 23-02-2023 16:00 in week 08
Applied Spectroscopy - Reexam (CB)