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3rd year Spectroscopy Lecture Material:  Alan Ryder

In third year I lecture two different elements of spectroscopy.  X-Ray Fluorescence (XRF) in CH326, semester 1, and General spectroscopy in CH313 physical chemistry.
The course descriptions and lecture notes for each are listed below;

CH326: 3rd year Analytical Chemistry & Molecular Structure:  X-Ray Fluorescence (XRF).

There will be two lectures on XRF. The notes are now all available for download below.

Course outline:

This course gives a reasonably detailed insight into X-Ray fluorescence spectroscopy.  Specific topics to be covered include:

• General theory of X-Ray Fluorescence Spectroscopy.
• Instrumentation (sources & detectors, wavelength dispersive and energy dispersive spectrometers).
• Instrumentation (wavelength dispersive and energy dispersive spectrometers)..
• Matrix effects,
• Sampling & standards.

Lecture Notes:

The complete set of notes are now available in a single pdf file.  Download from here. 

YouTube Videos:

These are a collection of videos that show various aspects of XRF in operation. 
USM chem Club. This shows how easy it is to collect XRF data. 
HandHeld XRF from Innov-X, with reasonable soundtrack. Using XRF to check gold purity.
Lab-X system from Oxford Instruments, similar to the NBL system. Another video from Oxford shows oil & cement analysis.
Testing Children's toys for lead using handheld XRF. 
Analyzing solder using micro-XRF (from Spectro).

An XRF tube video from the 1940's.....in black & white.

Animations demonstrating Bremsstrahlung radiation, K-alpha rays, Characteristic radiation ( with fruit & vegetables)

Reading Lists:

The following texts are recommended for this course:

• " Analytical Chemistry: a modern approach to analytical science, 2nd. edition.", edited by Kellner/Mermet?Otto, etc. Chapter 24.4 (all of this).  There are 4 copies in the library. This is the recommended textbook.
  
• X-Ray Fluorescence Spectroscopy, 2nd edition, Ron Jenkins. John Wiley. (This is vol. 152 in Chemical Analysis). 
  

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Internet resources:

The following online tutorials cover all of the course plus a lot extra.  They are good sources of information about the XRF method if you want to learn more:

• Micro- and Trace Analysis Centre (MiTAC) at the University of Antwerp (UA) , the ChemometriX group:
  http://www.chemometrix.ua.ac.be/xrftrain/  [An excellent set of lecture notes].
• Bruker, a manufacturer of XRF instrumentation has a very good online tutorial available at:
  www.bruker-axs.de/fileadmin/user_upload/xrfintro/index.html 
• Amptek, a manufacturer of detectors and compact XRF systems have a lot of good information available at:
  www.amptek.com/xrf.html  Includes details about the XRF system on the Mars pathfinder system.
  

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3rd year Physical Chemistry (CH313):  Spectroscopy & Quantum Chemistry

• Course outline
• Lecture Notes 
• Reading lists
• Problem Sheet
• Spectroscopy Links

There are 4 lectures on spectroscopy and 1 exam question.  Page updated19/09/2011. 
Lectures start on Wednesday the 25th of January 2012 and are held in the Dillon Theatre .
The problem sheet should be attempted before the tutorials start.

Spectroscopy (CH313) Course Outline : This course gives a detailed insight into Rotational, Vibrational &  Molecular spectroscopy.  Specific topics to be covered include:

• General Features of Spectroscopy.
• Pure Rotational (Microwave) spectroscopy.
• Vibrational Spectroscopy.
• Vibrational Rotational Spectroscopy,
• Raman Spectroscopy.

A detailed description of the syllabus is available here.

Lecture Notes

These are only study aids, you are required to read the various textbooks. 3Y Spectroscopy 2010 notes.
The 2010 notes includes all the material that will be covered in lectures.

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Reading Lists

The reading is broken down into level 1 (introductory & 2Y revision) and level 2(core course).  L1  will give you a good introductory background to the various concepts covered in 3rd year, while L2 texts will give you the necessary detail and tools to be able to understand and answer the questions. 

Required Reading: 

Elements of Physical Chemistry, Atkins & de Paula, 4th Edition:
Vibrational & Rotational spectroscopy:  Chapter 19
Physical Chemistry, Atkins & de Paula, 8^th Edition (recommended textbook).
Chapter 13: Molecular spectroscopy 1; rotational & vibrational spectra. 

Level 1 (introductory & 2Y Revision):
Revision of second year spectroscopy. Notes available here. 

Elements of Physical Chemistry, Atkins & de Paula, 4th Edition: Chapter 19: Molecular Rotations and Vibrations (Revision of second year topics).  

Level 2 (core course):
Elements of Physical Chemistry, Atkins & de Paula, 4th Edition: Chapter 19: Molecular Rotations and Vibrations  
This is a reasonable introduction to spectroscopy. But it does not cover all the required topics in sufficient detail.

Physical Chemistry, Atkins & de Paula, 8^th Edition (recommended textbook). Chapter 13. 
There are a lot of electronic resources available in the ebook which are very useful for understanding quantum mechanics.  

Suggested Reading: 
The following sources are useful if you want to find out more about these methods.
Foundations of Spectroscopy, Duckett & Gilbert, Oxford Chemistry Primers. Chapters 2 and 3. 
Molecular Spectroscopy, J.M. Brown, Oxford Chemistry Primers. Chapters 1-6.
Fundamentals of Molecular Spectroscopy, Banwell & McCash, Chapters 1-4. 

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Problem Sheet

Handed out at first quantum lecture.

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Internet resources

The following websites have useful online demos and graphics for illustrating many of the concepts covered in the lectures. 

General Spectroscopic Info: 
From MIT, basic intro to spectroscopy handout. 

Microwave (rotational) spectroscopy: 

Steve Kukolich, at Arizona University: study of molecular structure through microwave spectroscopy. 
Interstellar Microwave Spectroscopy at NASA, JPL lab. (includes simple explanation).
Eastern Illinois University have a nice page with pics of a microwave spectrometer.
List of Rotational Spectroscopy groups.

Vibrational-Rotational Spectroscopy:

MIT website has lecture notes available at http://web.mit.edu/5.33/www/lec/spec5.pdf 
Description of Vib-Rot experiment. New Mexico State University. 
Explanation of why water is blue. J. Chem. Edu., 1993, 70(8), 612.
Internet Journal of Vibrational Spectroscopy.  Lots of interesting articles online. 

Raman spectroscopy: 
University wesbsites, mixture of teaching and research:
Chemsoc. Org.  Basic tutorial.
Virtual Raman.  Nice pictures of setup and tutorial.

The following manufacturer sites give tutorials on Raman & applications:
Kaiser Optical Systems. 
Avalon Instruments, part of Perkin-Elmer. We have one of these systems in NUIG. Some nice application notes on the use of Raman.
Horiba Jobin-Yvon.  We have one of their confocal Raman systems at NUIG.
Renishaw.  Nice list of indicative applications of Raman analysis. 
Delta Nu. Application Notes, Forensics, and portable systems.  

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