The Vibrations of Molecules - II : The Carbon Dioxide Molecule©
George L. Hardgrove
Chemistry Department
St. Olaf College
Northfield, MN 55057
United States
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This pair of documents provide a basic introduction to harmonic motion in a triatomic molecule. With these documents students explore the effect of initial velocity and position on the mode of vibration obtained by solving classical equations of motion. The document permits students to create a simple animation of two of the modes of vibration for carbon dioxide. Matrix algebra is used to transform the coordinates representing the molecule from Cartesian coordinates to internal coordinates. The instructional document gives another example of using Legrange's equation of motion. The document can be used as an introduction to Molecular Dynamics. Elementary differential calculus is required. Mathcad 6.0+ is required to use the document. Student active learning is supported by a set of questions that direct their exploration of the mathematical and physical concepts.
Audiences: Upper-Division Undergraduate
Pedagogies: Computer-Based Learning
Domains: Physical Chemistry
Topics: Mathematics / Symbolic Mathematics, Molecular Mechanics / Dynamics, Quantum Chemistry
File NameDescriptionSoftware TypeSoftware Version Instructional and Computational Mathcad Document Mathcad 6 Instructional and Computational Mathcad Document Mathcad 6
co2ins.pdf Read-Only Document
co2run.pdf Read-Only Document
Comments to: George Hardgrove at
©Copyright George Hardgrove, 1996, 1997. All rights reserved. You are welcome to use this document in your own classes but commercial use is not allowed without the permission of the author.