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  Home > JCE Print > Journal of Chemical Education > Issues > 2007  > June  >
Research: Science and Education
Enhanced Intensity Distribution Analysis of the Rotational–Vibrational Spectrum of HCl
Monty L. Fetterolf
Department of Chemistry and Physics, University of South Carolina Aiken, Aiken, SC 29801
Cover
June 2007
Vol. 84 No. 6
p. 1062
Abstract
Data are presented that indicates the best fit of intensity of the HCl vibrational–rotational FTIR spectrum, which includes a Boltzmann population profile, is accomplished by accounting for factors from the full transition moment integral and by relaxing the rigid-rotor approximation. Mathcad is used to generate intensity distributions. A typical HCl FTIR spectrum is shown and two methods are discussed for presenting the spectrum together with a calculated intensity distribution. The two methods are the use of transparencies or projection using PowerPoint to manipulate the images so that they overlay. A direct visual comparison can then be made by students in the classroom as to the quality of the fit. Information describing the HCl spectrum and the quality of these data, a description of intensity distributions using Boltzmann population profiles and how they are displayed, and techniques for employing both visualization methods in the classroom are presented in the Supplemental Material. Also available in the Supplemental Material is the HCl spectrum saved as an Excel file and the Mathcad file used to generate the intensity distributions.
Supplement
Detailed experimental conditions, comparison with literature values, a Mathcad worksheet used to generate the intensity distribution, technical aspects of both the transparency and PowerPoint methods, and the HCl spectrum are available.
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Contents
  JCE2007p1062W.pdf
 
JCE2007p1062W.zip
Folder JCE2007p1062W containing JCE2007p1062W.doc (Microsoft Word), JCE2007p1062W.xls (Microsoft Excel), and JCE2007p1062W.mcd (MathCad)
More Information
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Citation
Fetterolf, Monty L. J. Chem. Educ. 2007, 84, 1062.
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Keywords
Gases; Hands-On Learning / Manipulatives; IR Spectroscopy; Laboratory Instruction; Physical Chemistry; Spectroscopy; Statistical Mechanics; Upper-Division Undergraduate
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History
Created:
Last Updated:
4/24/2007
5/3/2007
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