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  Home > JCE Print > Journal of Chemical Education > Issues > 1999  > September  >
Information • Textbooks • Media • Resources
Analysis of the Infrared Spectra of Diatomic Molecules
Richard W. Schwenz
Department of Chemistry and Biochemistry, University of Northern Colorado, Greeley, CO 80639

William F. Polik
Department of Chemistry, Hope College, Holland, MI 49423

Cover
September 1999
Vol. 76 No. 9
p. 1302
Abstract
The infrared spectrum of a heteronuclear diatomic molecule is acquired and analyzed in almost every undergraduate physical chemistry laboratory. Traditional data analyses can be frustrating to students because of the repetitive calculations, the graph production, and indirect method of obtaining molecular constants. This paper describes an improved data analysis method using the multiple linear regression feature of a spreadsheet program. This method dramatically simplifies the effort of data reduction, provides a more direct connection between experimental data and molecular constants, and yields results that are more accurate and precise than traditional methods.
Supplement
Supplementary materials provided are in the form of three files:
  • Spreadsheet comparing analysis methods in Excel 5.0/95 format (requires Analysis ToolPak Add-In)
  • Mathcad document with multiple linear regression analysis method in Mathcad 6.0 format
  • Data file for Mathcad document

They have been compressed as zip (for Windows) and sit (for Macintosh) files. It is also available as a pdf, accessible with Acrobat Reader.

*  Contents
*  Download
supp1302.zip

supp1302.sit

supp1302.pdf
More Information
*  Citation
 Schwenz, Richard W.; Polik, William F. J. Chem. Educ. 1999 76 1302.
*  Keywords
 IR Spectroscopy; Laboratory Computing / Interfacing; Molecular Properties / Structure; Numerical Methods; Physical Chemistry
*  History
 Created:
Last Updated:		 July 30, 1999
November 22, 2005
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