What are representative matrices of point groups (or of symmetry operations in a molecule) used for?

56 Views Asked by At

Are they used for computation? Does a program interpret the atoms of a molecule as points with coordinates and multiplies these coordinates by transformation matrices to determine which symmetry operations a certain molecule can undergo without changing its original configuration?

1

There are 1 best solutions below

0
On

These groups can be used to classify the type of crystal that will form and to show the impossibility of certain configurations. For example we know that the $C_{60}$ buckminsterfullerene doesn't have translation symmetries which limits the possible types of crystals it could form.The point groups can be used to understand how the material may act under stress including deformations and fractures. While they group operations can be used to calculate the crystal structure it's more common to look at the crystal and try to figure out it's group which gives you insight into how the molecule is shaped. For example the diffraction pattern seen in x-ray crystallography will exhibit symmetries which can be examined to determine the group structure of the crystal.