Atomic orbitals 3d electron density

This page contains movies depicting the 3dxy, 3dxz, 3dyz, and 3dx2-y2 wave functions. In all cases the red zones are where the 3d wave function has positive values and the white zones denote negative values. See the 3d wave function page for movies depicting the 3d the wave functions and nodal structures.

The "surface" of the three-dimensional orbital at the top centre of each movie represents points for which the electron density for that orbital is the same - an isosurface. By choosing different values of electron density, denoted by the bar moving up and down on the line plot or by the moving plane on the surface plot, then the size of the three-dimensional plot changes. All values of electron density are of necessity not negative since the square of any real number cannot be less than zero.

3dz2 orbital electron density

Movie depicting the 3dz2 electron density function (ψ3dz2)2. The z-axis lies from left to right.

The 3dz2 orbital has two conical nodes but no spherical nodes while the higher d-orbitals ( 4d, 5d, 6d, and 7d) have one or more.

3dx2y2 orbital electron density

Movie depicting the 3dx2y2 electron density function (ψ3dx2y2)2. The x-axis lies from left to right and the y-axis into the screen away from you.

The 3dx2y2 orbital orbital is related to the 3dxy orbital (below) by a 45° rotation about the z-axis.

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

Movie depicting the 3dxy electron density function (ψ3dxy)2. The x-axis lies from left to right and the y-axis into the screen away from you. The graph on the left shows values of (ψ3dxy)2 on the xy plane drawn through the nucleus while the graph on the right is a plot of values along a single line along the x=y line drawn through the nucleus. The form of the plots for the 3dxz and 3dyz orbitals is similar, differing only in orientation.

Each of the 3dx2y2, 3dxy, 3dxz, and 3dyz orbitals have two planar nodes normal to the axis of the orbital. These orbitals have no spherical nodes but the higher d-orbitals ( 4d, 5d, 6d, and 7d) have one or more.


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.