Understanding Clusters toward the Design of Functional Molecules and Nanomaterials

Abstract

In this account, we highlight the theoretical investigations of various cluster systems comprising of water clusters, π-containing clusters, and metallic clusters. We illustrate how these investigations help us understand and design structures and properties of nanowires, novel functional ionophores/receptors, and nanomaterials. Many of these theoretically predicted systems have been experimentally realized and some of the predicted structures/properties are left for the future which of course could be promising challenges for experimentalists.

Theoretical investigations of various clusters comprising of water, ions, π-systems, and metals help us design and understand structures and properties of nanowires, nanomaterials, and novel functional ionophores/receptors.