Atomic orbitals 3d electron "dot-density"

This page shows representations of electron density in two ways. The first is two-dimensional electron "dot-density" diagrams - plots across an appropriate plane of each 3d orbital. These were created using a Monte Carlo computational method. The second allows you interact (zoom, rotate) with three-dimensional electron "dot-density" models representing electron density of the various 3d atomic orbitals created by the same Monte Carlo computational method. Red represents regions for which the wave functions are positive and white represents where values are negative.

3dz2 electron "dot-density"

The first image shows a two-dimensional electron dot-density plot of the 3dz2 orbital (z-axis is vertical). The second image is an interactive (see below for instructions) represention of electron density in three-dimensions for the same orbital. The shapes of the 3dxy, 3dxz, 3dyz, and 3dx2-y2 orbitals differ and shown below.
Electron dot-density plot of the 3d_zz orbital.

3dx2y2, 3dxy, 3dxz, and 3dyz orbital electron density

The first image shows a two-dimensional electron dot-density plot of the 3dxy orbital (across the z=0 plane). The 3dxz orbital (across the y=0 plane and 3dyz orbital (across the x=0 plane) are similar in appearance. The 3dx2y2 is identical in appearance but rotated by 45° in the plane of view. The second image is an interactive (see below for instructions) represention of electron density in three-dimensions for the same orbitals.
Electron dot-density plot of the 3d xy orbital.

Using JSmol

You can use your mouse to manipulate the "orbital" in the "JSmol" image above. How you do this depends upon how you are viewing this page but the following may help.

  • On a mobile device experiment using one or two fingers to rotate and zoom
  • On a computer, to rotate about the x and y directions, drag mouse around the image
  • On a computer, to rotate about the z direction (which comes out of the screen towards you), hold shift and drag mouse horizontally
  • To zoom, hold shift key down and drag mouse vertically
  • To reset the image, hold down shift key and double click ony part of the image not containing dots

The OrbitronTM, a gallery of orbitals on the WWW: https://winter.group.shef.ac.uk/orbitron/
Copyright 2002-2023 Prof. Mark Winter [The University of Sheffield]. All rights reserved.