JCE
Finding Molecular Vibrational Frequencies from HCl to SO2©
Franklin M.C. Chen
Department of Chemistry
University of Wisconsin-Green Bay
Green Bay, WI 54311-7001
United States
mail to: chenf@uwgb.edu


Theresa Julia Zielinski
Department of Chemistry, Medical Technology, and Physics
Monmouth University
West Long Branch, NJ 07764-1898
United States
mail to: tzielins@monmouth.edu



Abstract
This Mathcad worksheet is intended to help students learn about finding molecular vibrational frequencies through normal mode analysis and numerical solutions for a simple molecule such as HCl and more complicate molecules such as CO2 and SO2. Students will learn various coordinates such as displacement coordinates, internal coordinates, symmetry coordinates, and their relationship. Students will also learn how to write sets of differential equations, quadratic terms of potential and kinetic energies using most convenient coordinates. This exercise will help students develop algebric skills to diagonalize both potential and kinetic energy quadratic terms to find corresponding vibrational frequencies.
Commentary
Editor's Commentary
Keywords
Audiences: Upper-Division Undergraduate
Pedagogies: Computer-Based Learning
Domains: Physical Chemistry
Topics: Chemometrics, Group Theory / Symmetry, Mathematics / Symbolic Mathematics, Quantum Chemistry
Documents
File NameDescriptionSoftware TypeSoftware Version
FindingVibrationFrequencies.mcd JCE Requires Mathcad 11 or higher. Mathcad 11
FindingVibrationFrequencies.pdf Read-Only Document
JCE JCE Subscribers only: name and password or institutional IP number access required.
Citations
Chen, Chen, F. M. C.; Zielinski, T. J. J. Chem. Educ. 2006 83, 1726.
Comments to: chenf@uwgb.edu
©Copyright 2006 Journal of Chemical Education