|You are at: University of Sheffield » Chemistry » Mark Winter » Orbitron (atomic orbitals and molecular orbitals)|
Atomic orbitals: 7g electron density
Schematic plot of the 7gzx3 electron density function ψ7gzx3. Blue represents negative values for the wave function and red represents positive values.
The line graph on the left is a plot of values through the origin out along one of the positive lobes. The surface plot is in the xz plane, with the x direction from right to left, and the z direction from back to front. The 3D plot is tilted slightly so that the z-axis comes out of the page slightly allowing all the lobes of the orbital to be seen.
The "surface" of the orbital 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 3d plot changes. This plot also shows that the magnitude of the electron density for the inner lobes is high so that if we choose a high threshold value (when the bar is high), then we only see one or more of the inner lobes in the three-dimensional plot. Only by moving the bar down sufficiently far does the main outer lobe become visible.
All values are of necessity not negative since the square of any real number cannot be less than zero.
The electron density functions for the 7gzx3 and 7gzy3 orbitals are identical in appearance and differ only in direction. One can be mapped to the other by a 30° rotation about the z-axis. This is best seen when viewing both together.
Links to 7g electron density functions
The Orbitron is a gallery of orbitals on the WWWThe OrbitronTM, a gallery of orbitals on the WWW, URL: http://winter.group.shef.ac.uk/orbitron/
Copyright 2002-2015 Prof Mark Winter [The University of Sheffield]. All rights reserved.
Document served: Tuesday 19th February, 2019