ABSTRACT

The modifications in the electronic orbital structure due to the formation of cation–ligand complexes often involve considerable electrostatic interactions between the negatively charged ligands and the electrons of the central cationic species. This chapter elaborates the concept of “hybridization” from slightly different perspectives, with the aim being to move forward toward more advanced theories concerning the bonding characteristics and the resultant orbitals of cation–ligand complexes. The crystal field theory was, in turn, invoked to explain a particular type of distortion, namely, Jahn–Teller distortion, which has its origin in the “crystal field splitting/stabilization energy” and the occupation of the electrons in the molecular orbitals under the influence of the crystal field. On a more important note, distortion cast their influences on the performance and structural stability of the associated materials in various applications, including electrochemical energy storage.