Module Details

The information contained in this module specification was correct at the time of publication but may be subject to change, either during the session because of unforeseen circumstances, or following review of the module at the end of the session. Queries about the module should be directed to the member of staff with responsibility for the module.
Title Further Analytical Chemistry
Code CHEM386
Coordinator Dr K Luzyanin
Year CATS Level Semester CATS Value
Session 2023-24 Level 6 FHEQ Second Semester 15

Pre-requisites before taking this module (or general academic requirements):

CHEM170 Introductory Spectroscopy 


Main goal: to provide the students with a knowledge of the principles of structural elucidation and application of various spectroscopic and spectrometric analytical techniques for identification and structural characterization of small molecules.

Learning Outcomes

(LO1) Apply the principles of structural elucidation for identification and characterization of organic compounds

(LO2) Demonstrate awareness of the theoretical concepts and application of NMR spectroscopy, mass-spectrometry (MS), chromatography (GC/HPLC), and hyphenated techniques GC/HPLC-MS in the context of structural elucidation in synthetic chemistry and catalysis

(LO3) Devise an appropriate method or a multi-technique approach in order to establish the structure of organic compounds and/or confirm their authenticity

(LO4) Improve their confidence in scientific communication and presentation of data to subsequently enhance their employability skills

(S1) Students will develop their chemistry-related cognitive ability and skills, relating to intellectual tasks, including problem solving as required by the Chemistry subject benchmark statement

(S2) Students will improve their confidence in scientific communication and develop presentation skills of analytical data

Teaching and Learning Strategies

Lectures (+ lecture-based tutorials, in-person): 32 x 1 hr

1) introduction to structural elucidation, describing principles of structural elucidation, thus connecting this module to CHEM170/286/246.
2) essential principles of each technique important in structural elucidation.
3) examples and solved cases of structural elucidation from both academic and industrial environments, linking theoretical and applied analytical chemistry knowledge. This teaching and learning method is important for developing LO1-LO3 and S1.

Coursework. Preparatory work in small groups remote and in person, followed by the delivery in-person during workshops.
1 x 2 hr workshop, for training and assessed formatively.
3 x 2 hr workshops, problem-based learning workshops with summary presentation in small groups, 10% each.

Preparative work for the workshop is organized in a traditional problem-based learning style (groups of 4-8 students working cooperatively on solving o f a given case). During workshops students refine their presentation upon formative feedback from staff and present and discuss the results to the audience composed of staff and students.
This approach is therefore used as a teaching and learning method, important in developing LO1-LO3, S1, as well as presentation and communication skills (LO4, S2) and an assessment approach at the same time.

*Lectures: 32 hr
*Workshops: 8 hr



Introduction to structural elucidation (lectures 1-3) - Luzyanin
Principles of structural elucidation; main methods of structural elucidation; limits of application; absolute and relative methods; reliability and validation of analytical methods. Methods for determination of elemental composition and identification of structure.

Application of mass-spectrometry for structural elucidation (lectures 4-7) - Luzyanin
1. Fundamentals of mass-spectrometry. Ion sources, detectors and limits of applicability of selected mass-spectrometry approaches. Mass-spectrometry and elemental composition
2. Application of mass-spectrometry in structural elucidation in synthetic chemistry and catalysis

Application of solution NMR spectroscopy for structural elucidation (lectures 8-18) – Iggo, Luzyanin
1. Fundamentals of NMR spectroscopy; sensitivity and resolution; isotope selection; methods to improve sensitivity and resolution
2. Principles of 1D NMR methods and techniques. 1D direct detection methods; principles of decoupling, polarization transfer, and NOE. Selected 1D NMR methods useful for structural elucidation
3. Principles of 2D NMR methods and techniques. 2D direct and indirect detection methods. Classifications of 2D NMR methods. Selected 2D NMR methods useful for structural elucidation
4. Solution multinuclear NMR measurements. Recognition of structural fragments by 1D and 2D NMR: analysis of chemical shifts, coupling patterns, and skeletal structure. Data processing and spectral interpretation.
5. Determination of relative and absolute configuration and conformation by NMR. Intra- and intermolecular interactions, fluxionality.
6. Application of NMR spectroscopy for structural elucidation in organic chemistry and catalysis

Application of separation sciences and hyphenated techniques as an aid for structural elucidation (lectures 19-23) - Luzyanin
1. Fundamentals of chromatography
2. Liquid Chromatography : modes of separation, instrumentation, HPLC vs UHPLC. Method development for LC: optimising separation conditions, selecting an appropriate column and detector for the given analysis. LC detectors: UV (photodiode array versus single wave UV), fluorescence, refractive index, electrochemical methods of detection.
3. Gas Chromatography: modes of separation, instrumentation. Method development for GC: optimising separation conditions, selecting an appropriate column and detector for the given analysis. GC detectors: flame ionisation detector, thermal conductivity detector.
4. Introduction to hyphenation (GC/MS, HPLC/MS, MS/MS). GC and HPLC interfaces.
5. Applications of chromatography and hyphenated techniques as an aid for structural elucidation in chemical and pharmaceutical analysis.

Additional techniques and tools in structural elucidation (lectures 24-25) - Luzyanin
1. Application of UV/vis and IR spectroscopy. Alternative techniques for assignment of relative a nd absolute configuration of organic compounds. Deuteration and studies of kinetic isotopic effect.
2. Database use and search

Combined approaches for structural elucidation and their application in different research fields (lectures 26-32) – Luzyanin, Iggo,
1. Principles of multi-technique approaches for structural elucidation. Three-stage strategy: determination of molecular formula, identification of functional groups, and elucidation of connectivity.
2. Application of combined approaches for structural elucidation in synthetic organic chemistry; validation of results

Recommended Texts

Reading lists are managed at Click here to access the reading lists for this module.

Teaching Schedule

  Lectures Seminars Tutorials Lab Practicals Fieldwork Placement Other TOTAL
Study Hours 32


Timetable (if known)              
Private Study 110


EXAM Duration Timing
% of
Penalty for late
Comprehensive open-book exam Resit: Yes  180    70       
CONTINUOUS Duration Timing
% of
Penalty for late
3 workshops Exemptions: e-submission 3.2a anonymous marking 4.3e, 4.3f Resit: No    30