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  Home > JCE Print > Journal of Chemical Education > Issues > 1998  > September  >
Information • Textbooks • Media • Resources
JCE Online: Mathcad in the Chemistry Curriculum
Vibronic Spectra of Diatomic Molecules and the Birge-Sponer Extrapolation: BirgeSponer.mcd
George M. Shalhoub
Department of Chemistry, La Salle University, Philadelphia, PA 19141


Theresa Julia Zielinski
Department of Chemistry, Medical Technology, and Physics, Monmouth University, West Long Branch, NJ 07764-1898
Cover
September 1998
Vol. 75 No. 9
p. 1192
Abstract
The goal of this document is to examine the potential energy curve for both the ground and excited states of an electronic transition in order to set the stage for a Birge-Sponer determination of the Do and De dissociation energies of the excited state of a diatomic molecule from experimental UV-vis spectral data. This document takes advantage of the live symbolics and optimize features of Mathcad PLUS 6 to present a derivation of the Birge-Sponer equations. The document contains ample student exercises to foster reflection and learning of the spectroscopic concepts. After using this document students will be able to: explain the relationship between the potential energy curves for excited and ground states in a molecule; explain the significance of each parameter in a Morse potential energy function; and use a Birge-Sponer plot to determine dissociation energy of an electronic excited state of a diatomic molecule. This document will prepare students for analysis of the vibronic spectrum of iodine or some other diatomic molecule. The Iodine Spectrum document (below) is the companion template for the analysis of the UV-vis spectrum of a diatomic molecule.
More Information
*  Citation
 Shalhoub, George M.; Zielinski, Theresa Julia. J. Chem. Educ. 1998 75 1192.
*  Keywords
 internet, physical chem, quantum chem, teaching, learning aids
*  History
 Created:
Last Updated:		 June 21, 1999
June 24, 2005
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