Orbital Graphing

Jan 1, 2004 - Chemistry, P.O. Box 720, Springfield, OH 45501; [email protected]. File names: OrbitalGraphing2001i.mcd,. OrbitalGraphing2001i.pdf...
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Orbital Graphing by Mark Ellison, Wittenberg University, Department of Chemistry, P.O. Box 720, Springfield, OH 45501; [email protected] File names: OrbitalGraphing2001i.mcd, OrbitalGraphing2001i.pdf, OrbitalGraphingStudentVS2001i.mcd, OrbitalGraphingStudentVS2001i.pdf Keywords: Physical Chemistry, Atomic Properties/Structure, Computer-based Learning, Quantum Chemistry Requires: Mathcad 2001i and higher

The goal of this document is to help students become familiar with preparing and viewing three-dimensional graphs of the angular parts of hydrogen-like atomic orbitals. The students plot the angular part of an s (l = 0, m = 0) orbital and a pz (l = 1, m = 0) orbital. However, the atomic orbitals p1 (l = 1, m = 1) and p᎑1 (l = 1, m = ᎑1) are graphed but look

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Journal of Chemical Education



nothing like the familiar shape of a p orbital. Linear combinations of these orbitals are graphed, and the combinations result in the familiar px and py orbitals. The process is repeated for some of the d orbitals. In the second part of the document, the students use linear combinations of s and p orbitals to construct hybrid sp, sp2, and sp3 orbitals.

Vol. 81 No. 1 January 2004



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