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Enhanced Intensity Distribution Analysis of the Rotational–Vibrational Spectrum of HCl

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Monty L. Fetterolf

Department of Chemistry and Physics, University of South Carolina Aiken, Aiken, SC 29801

J. Chem. Educ., 2007, 84 (6), p 1062

DOI: 10.1021/ed084p1062

Publication Date (Web): June 1, 2007

Section:

History, Education, and Documentation

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.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Pedagogy):

Hands-On Learning / Manipulatives

Keywords (Subject):

Gases

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