Molecular structure
As a molecular structure or molecular geometry the geometrical, spatial relative arrangement will atoms in a molecule referred to. It significantly determines important properties such as the electrical dipole moment .
Cartesian coordinates (x, y, z) are usually used to describe the positions of the atoms, or internal coordinates, i.e. H. Bond lengths and bond angles and possibly dihedral angles . These can be summarized in 32 point groups through the occurrence of symmetries etc. The description is typically made in the Schoenflies symbolism named after Arthur Moritz Schoenflies .
The molecular structure can be determined experimentally by means of crystal structure analysis or nuclear magnetic resonance spectroscopy (NMR). For small molecules made up of a few atoms, the structure can also be calculated using the methods of theoretical chemistry . An approximate estimate is possible with the VSEPR model .
