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  Home > JCE Print > Journal of Chemical Education > Issues > 2004  > October  >
Information, Textbooks, Media, Resources
JCE SymMath: Symbolic Mathematics in Chemistry
sp3dn-Orbital Hybrids and Molecular Geometry
Mark Ellison
Department of Chemistry, Wittenberg University, Springfield, OH 45501
Cover
October 2004
Vol. 81 No. 10
p. 1534
Full Text
This document is designed to allow students to explore interactively the hybrid orbitals that give rise to the following molecular geometries: octahedral, trigonal bipyramidal, square planar, and square pyramidal. The linear combinations of solutions to the Schrödinger equation are used to construct hybrid orbitals from s, p, and d orbitals. The exercises in this Mathcad template will introduce students to the graphical representations of complex hybrid orbitals, specifically the angular part of these orbitals. After gaining experience with graphing these orbitals, students should be able to visualize these hybrid orbitals and the resulting molecular geometries. Some introductory material is presented followed by exercises. The answers included in the document can be deleted when faculty use this document with students.


Figure 1. The angular parts of |Ψ|2 that arise from spd atomic orbital hybridization.
Supplement
Fully interactive computer algebra files are available in the JCE SymMath collection of the JCE Digital Library Only@JCE Online.
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*  Citation
 Ellison, Mark. J. Chem. Educ. 2004 81 1534.
*  Keywords
 Computer Assisted Instruction; Mathematics / Mathematical Methods; Physical Chemistry; Quantum Chemistry
*  History
 Created:
Last Updated:		 August 31, 2004
September 9, 2004
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