Molecular geometry

As the molecular structure or geometry of the molecule geometric relative spatial arrangement of the atoms in a molecule is referred to. It largely determines important properties such as the electric dipole moment.

Describing usually in Cartesian coordinates (x, y, z ) are used to specify the positions of the atoms, or internal coordinates, i.e., bond lengths and bond angles and dihedral angles, if necessary. This can be summarized by the appearance of symmetry 32, etc. in point groups. The description is typically named after Arthur Moritz Schoenflies Schoenflies symbolism.

Experimentally, the molecular structure by means of crystal structure analysis or nuclear magnetic resonance spectroscopy (NMR) can be determined. For small molecules of a few atoms, the structure can also be calculated using the methods of theoretical chemistry. A rough estimate is possible with the VSEPR model.