Orbital Graphing
Mark Ellison
Wittenberg University, Department of Chemistry, Springfield, OH 45501
Abstract
Downloads
Commentary
More Information: Keywords, JCE Citation
Abstract
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 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.
The
angular part of an fz3 eigenfunction for a hydrogen-like ion. Screen from Orbital Graphing.
Downloads
 JCE Subscribers only: Institutional IP number access or name and password required
Commentary
 Editor's Commentary
Other Information
KeywordsAtomic Properties/Structure; Computer-Based Learning; Numerical Methods; Physical Chemistry; Quantum Chemistry JCE Citation
Ellison, Mark. J. Chem. Educ. 2004, 81, 158.
|
