Molecular Electrostatic Potential Maps In Motion

A grid of four MEPs superposed on ball-and-stick models is shown and animated. In the first part the figures are rotated counter-clockwise around the z-axis. Then the MEPs are turned from solid to transparent. Finally the molecules are rotated clockwise around the z-axis. The first set of molecules is faded out and the second set faded in, rotated clockwise around the z-axis. The MEPs are turned from transparent to solid. Both MEPs and molecules are rotated counter-clockwise around the z-axis.

For the rotation of the molecules an adapted version of “rotateMeHarder” was used. The source of this module written in Mathematica is Autorotating 3D plots.

The animation lets you see the effect of different components in the molecules on the MEPs. The molecules in the two sets are:

Set 1: A1) methane, A2) flouromethane, B1) chloromethane, B2) bromomethane

Set 2: A1) methanol, A2) acetaldehyde, B1) acetic acid, B2) methylamine

 

Molecular Electrostatic Potential Maps Of Some Polar Molecules

The electrostatic potential surface of a molecule maps its electron density. The surface is colored according to the local electrostatic potential (e.g. red/negative, green/near zero, and blue/positive).
This Demonstration shows a noninteractive table of MEPs superposed on ball-and-stick models for a set of nine molecules. Switching between molecules lets you see the effect of different components.

A teaser version in 2D:

Molecule Orbitals For Conjugated Polyenes In Motion

A grid of seven molecules and their π-system molecular orbitals are shown and animated. The figures are rotated counterclockwise around the z-axis. The QR-codes contain related URLs.

For the rotation of the molecules an adapted version of “rotateMeHarder” was used. The source of this module written in Mathematica is Autorotating 3D plots.

A Table of Energy Diagrams And Molecule Orbitals

This table contains seven conjugated polyenes. For each polyene the molecule alone and the molecule in combination with the π-system molecular orbitals is shown. In addition a Hückel energy diagram for the first molecule orbital of the seven molecules is given. Listed are molecule and the position of the HOMO/LUMO pair within each molecule orbital set.

The poster was created in 2014 for paper size ISO 216-A1 (841 x 594 mm^2, 33.1 x 23.4 in^2).

This is a smaller interactive alternative in HTML-5: