Experiment: Contour Plots for Atomic Orbitals


    The JAVA applet below plots the cross section of the relative electron density cloud for a variety of atomic orbitals, yn, l, m l . The electron density, (yn, l, m l )2, at any set of coordinates r, q, j is related to the probably of finding an electron in a unit volume of space at those coordinates. The relative electron density at a set of coordinates is the electron density at those coordinates divided by the maximun electron density calculated for the plot. The contour plot is a two dimensional display of the regions where the values of the relative electron density lie within a specific range. These regions are marked with symbols that indicate the range of relative electon density. The origin where the nucleus is located is at the center of the plot.

Symbol Range of Relative Electron Density
$ 1.00 - 0.50
+ 0.50 - 0.25
0 0.25 - 0.10
/ 0.10 - 0.02
: 0.02 - 0.01

    To obtain a contour plot of one of the atomic orbitals listed below, enter the effective nuclear charge "seen" by the electron that "occupies" the atomic orbital of interest, and click the button associated with that orbital. Use the Effective Nuclear Charge Calculator to calculate the effective nuclear charge "seen" by the electron. Wait for the caption to appear above the contour plot or the x axis to appear below the plot before you move the page or begin a new calculation.

    Use the applet in the design and performance of experiments to answer the following questions. See the Tutorial for Experiment: Contour Plots for Atomic Orbitals for an example and help.

  1. How does the size and shape of the contour plot (electron density cloud) change with a change in the quantum number n? Enter 6.6 for Zeff.
  2. How does the size and shape of the contour plot (electron density cloud) change with a change in the quantum number l? .
  3. How does the size and shape of the contour plot change with a change in the effect nuclear charge, Zeff?
  4. Calculate the Zeff "seen" by an electron in a 2p atomic orbital for a boron, carbon, nitrogen, oxygen, and fluorine atom.
  5. How does the contour plot for a 2p atomic orbital change across the second period?
  6. How does the contour plot for the valence p atomic orbital change down Group 15?

    Include data from your experiments to support your answers to the questions.

    If you have designed and preformed all of the experiments, answered all of the questions, and completed the report to be submitted for credit, then you may check the Answers to Contour Plots for Atomic Orbitals Questions



K. Jeffrey Johnson 73