Duration
20h Th, 5h Pr
Number of credits
| Master in chemistry, research focus | 3 crédits | |||
| Master in chemistry, teaching focus (Réinscription uniquement, pas de nouvelle inscription) | 3 crédits | |||
| Master in chemistry, professional focus | 3 crédits |
Lecturer
Coordinator
Language(s) of instruction
English language
Organisation and examination
Teaching in the first semester, review in January
Schedule
Units courses prerequisite and corequisite
Prerequisite or corequisite units are presented within each program
Learning unit contents
This course illustrates recent applications of advanced molecular spectroscopy within the optical range (UV-Vis-NIR-MIR) and introduces the fundamentals of optical design and spectral data processing. Tailored to the needs of chemists, it bridges theoretical principles with the practical aspects of instrument assembly and the exploitation of complex datasets. The course is structured into 7 theoretical lectures (2h each) and 2 practical sessions (4h each), totaling 22 hours and covering the following topics:
Lecture 1. Fundamentals of Optical Spectroscopy (UV-Vis-IR): transitions and selection rules, line broadening mechanisms (natural, thermal, instrumental), spectral quality, and signal-to-noise ratio (S/N).
Lecture 2. Instrumentation, Light Sources, and Detectors: review of primary light sources and detectors in spectroscopy to enable informed selection based on the chemical application. Analysis of technical specifications such as quantum efficiency, noise sources, and response dynamics.
Lectures 3 & 4. Spectrometer Optical Design: exploration of instrumental architectures and performance, spectral resolution (single-point and array detectors), spatial resolution (refractive vs reflective objectives), confocality, and spectral imaging.
Practical Session 1. Spectrometer Assembly and Alignment: alignment of optical components, wavelength calibration, and spectral data acquisition.
Lecture 5. Spectral Data Preprocessing: preparation of spectral data, signal-to-noise estimation, smoothing, baseline correction, derivation, and spectral subtraction. Introduction to spectral databases and their usage.
Lecture 6. Chemometric Analyses: overview of multivariate statistical approaches for spectroscopic data processing, unsupervised exploratory analysis (PCA), and an introduction to supervised regression/classification methods (PLS, PLS-DA). Introduction to Multivariate Curve Resolution (MCR).
Lecture 7. Time-Resolved Spectroscopy and Advanced Imaging: time-resolved fluorescence, multiphoton spectroscopies, and an introduction to pump-probe methods.
Practical Session 2. Data Preprocessing and Chemometrics (PC): preprocessing of raw spectra, implementation of PCA and PLS on real datasets (reaction monitoring, mixture discrimination).
Learning outcomes of the learning unit
By the end of this course, students will be able to:
- Formulate a comprehensive spectroscopic characterisation (UV-Vis-NIR-MIR) and data-processing strategy tailored to a given chemical sample or analytical problem.
- Select appropriate optical components (sources, detectors, architectures) based on resolution, sensitivity, and spectral range requirements.
- Design, align, and calibrate a laboratory-scale spectroscopic acquisition platform.
- Implement a raw data preprocessing workflow and apply multivariate chemometric methods (PCA, PLS) for qualitative or quantitative analysis.
Prerequisite knowledge and skills
Fundamental knowledge of general molecular spectroscopy and geometrical optics (BSc level in chemistry or physics). Basic grounding in linear algebra or statistics is beneficial.
Planned learning activities and teaching methods
The course combines lectures with hands-on practical learning:
- Theoretical lectures (7 × 2h = 14h): presentation of core concepts, instrumentation technologies, and data-processing algorithms.
- Practical sessions (2 × 4h = 8h): assembly, optical alignment, and calibration of a spectrometer setup; processing of complex spectral datasets and multivariate modeling on computer workstations using specialized software.
Mode of delivery (face to face, distance learning, hybrid learning)
Face-to-face course
Course materials and recommended or required readings
The students will have access to the lecture support and to lecture notes.
Exam(s) in session
Any session
- In-person
oral exam
Written work / report
Out-of-session test(s)
Further information:
The students will carry out a mini-project consisting in aligning a miniatirised instrument enable to record spectral data and analysing complex spectral data using accessible data treament softwares. The students will be evaluated by a presentation of their results generated from the spectral data (either provided for this course or a dataset relevant for their Master's thesis) and their suitable data treatment.
Identical modalities stand for the evaluation in September, would the evaluation in June be less than 10/20.
Work placement(s)
Organisational remarks and main changes to the course
The lecture is given in English.
Contacts
Prof. Gauthier EPPE
Department of Chemistry, Bat B6c (bureau 1/8), Allee du 6 aout, 11 at 4000 Liege
Tel: +32 4366.34.22; e-mail : g.eppe@uliege.be
Dr. Cedric MALHERBE
Department of Chemistry, Bat B6c (bureau 1/9), Allee du 6 aout, 11 at 4000 Liege
Tel: +32 4366.36.47; e-mail : c.malherbe@uliege.be