Rational Design of Solid-State Materials with Asymmetric Coordination Environment
Syntheses, structures, and characterization of a series of new materials with noncentrosymmetric (NCS) structures will be presented. The materials with NCS structures are composed of second-order Jahn Teller (SOJT) distortive cations, i.e., d0 transition metal cations and stereoactive lone pair cations. Powder second-harmonic generation (SHG) properties and the structure-property relationships for the materials are discussed. The SHG efficiency is understood by examining the polarization of the asymmetric polyhedra. The origin and the magnitude of the SHG properties will be elucidated by determining the net direction of the polarizations. In addition, several new coordination polymers with asymmetric coordination environments are introduced. Thermal stabilities, gas adsorptions, reversible hydrations, and ligand exchange reactions for the metal-organic materials will be presented.