Coordination Chemistry of MOFs

AbstractGeometric information like the space groups and crystal systems has an essential role in the features of crystal materials. Prediction of crystal system and space group thus has wide applications in crystal material property estimation and construction. Most of the compounds were studied, and the new structures would be investigated; however, the base of the MOFs structure is the same and could be predicted. Inorganic chemistry has an explanation for predicting geometric information. It illustrates coordination bonds between the components of the compound, the exact position of atoms, the lone pairs, the electron cloud, interaction, and the final shape of the MOFs. This chapter would be presented an overview of coordination chemistry in MOFs.KeywordsCoordination numberElectron-pair donorsElectron-pair acceptorsHKUST-1ZIF-8Ce-Fe-MOFOuter Valance Molecular Orbital (OVMO)Inner Valance Molecular Orbital (IVMO)