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Module Specifications

Archived Version 2015 - 2016

Module Title
Module Code
School

Online Module Resources

NFQ level 9 Credit Rating 5
Pre-requisite None
Co-requisite None
Compatibles None
Incompatibles None
Description

This module provides an overview at, or informed by, the forefront of this field, of a number of spectroscopic techniques used in research and industry to determine the electronic, chemical and structural properties of matter through its interaction with electromagnetic radiation. The approach used is descriptive and operational. A solid understanding of the basic principles of quantum mechanics, mechanics, thermodynamics, and optics is required.

Learning Outcomes

1. Develop and articulate a systematic understanding of knowledge at, or informed by, the forefront of research both qualitatively, and quantitatively of the experimental apparatus used for a selection of spectroscopic techniques, including (i) highlighting key properties needed in components of the experimental apparatus, (ii) evaluating numerically the characteristics of spectroscopic components and apparatus and (iii) evaluating numerically how the physical characteristics of the sample affect the spectroscopic features.
2. Develop and articulate a systematic understanding of knowledge at, or informed by, the forefront of research both qualitatively (phenomenologically), and quantitatively of the nature of the light-mater interaction occurring in selected spectroscopic techniques.
3. Demonstrate this systematic understanding by calculation the position of spectroscopic lines in selected spectroscopic techniques and interpreting experimental data.
4. Demonstrate this systematic understanding by calculating the material properties of a sample based on spectroscopic data for selected spectroscopic techniques.
5. Demonstrate a critical awareness of the current problems in the field by carrying out a critical analysis of current publications implementing spectroscopic techniques, analyzing both the hardware implemented as well as the data analysis and interpretation of the results.



Workload Full-time hours per semester
Type Hours Description
Lecture30No Description
Tutorial6No Description
Independent Study64Study for lectures, tutorials, in-class tests, homework problems and final exam and background preparation for crtitical analysis assignment.
Assignment Completion25Topical paper on critical analysis of current publications implementing spectroscopic techniques
Total Workload: 125

All module information is indicative and subject to change. For further information,students are advised to refer to the University's Marks and Standards and Programme Specific Regulations at: http://www.dcu.ie/registry/examinations/index.shtml

Indicative Content and Learning Activities

Indicative Syllabus
Instrumentation for Spectroscopy; Rotational Spectroscopy; Vibrational Spectroscopy; Fourier-transform Spectroscopy Instrumentation; Raman Spectroscopy; Visible/UV Spectroscopy

Rotational Spectroscopy
A phenomenological description of rotational spectroscopy is developed. The quantum-mechanical description of the light-matter interaction is analyzed, yielding selection rules for rotational spectroscopy. The mechanics of the matter in combination with the selection rules are used to determine the energy-levels and spectroscopic lines. Prediction and analysis of rotational spectroscopic bands are quantitatively described, and first-order corrections terms are added.

Vibrational Spectroscopy
A phenomenological description of vibrational spectroscopy is developed. The quantum-mechanical description of the light-matter interaction is analyzed, yielding selection rules for vibrational spectroscopy. The mechanics of the matter in combination with the selection rules are used to determine the energy-levels and spectroscopic lines. Prediction and analysis of vibrational spectroscopic bands are quantitatively described, and first-order corrections terms are added.

Instrumentation for Vibrational Spectroscopy
A detailed description of dual-beam spectrometers and Fourier-transform-infrared spectrometers is presented.

Raman Spectroscopy
A phenomenological description of Raman Spectroscopy for rotational and vibrational Raman is developed. The quantum-mechanical description of Raman Spectroscopy is presented, yielding and the QM-selection rules. Quantitative analysis of the energy levels and spectroscopic lines is developed and used to describe the matter under investigation.

Electronic (Visible / UV) Spectroscopy
The quantum-mechanical description of electronic states of hydrogen is reviewed with particular emphasis on the development of quantum-numbers to describe the atomic state. The QM selection rules for photon-induced transitions is presented and the resultant spectral lines is quantitively analyzed. The formalism is extended to multi-electron atoms. Qualitative comparison of single-electron to multi-electron systems is developed. Quantitative analysis of spectroscopic lines is developed via fitting-parameters based on Quantum-Defect. Spectroscopic notation used to describe the transitions is presented.

Spectroscopic Instrumentation
An overview of instrumentation used in both absorption and emission spectroscopy is presented. An introduction to light-sources, wavelength-selectors, and light-detectors is given. Qualitative comparison between components is discussed. A phenomenological understanding of operation principles of the components, and which components work in which wavelength-spectrum is presented. Quantitative analysis of dispersive spectrometers and line spectral resolution are developed.

Assessment Breakdown
Continuous Assessment% Examination Weight%
Course Work Breakdown
TypeDescription% of totalAssessment Date
Reassessment Requirement
Resit arrangements are explained by the following categories;
1 = A resit is available for all components of the module
2 = No resit is available for 100% continuous assessment module
3 = No resit is available for the continuous assessment component
Unavailable
Indicative Reading List

  • Banwell and McCash: 0, Fundamentals of Molecular Spectroscopy,
  • Hollas: 0, Modern Spectroscopy,
  • Thorne, Litzen, Johansson: 0, Spectrophysics,
  • Atkins: 0, Physical Chemistry,
  • Skoog, Nieman, and Holler: 0, Principals of Instrumental Analysis,
Other Resources

None
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