Polarization and Covalency in Alkali-Tetralide Clusters

TL;DR

This paper investigates how ionic polarization influences the structure of alkali-tetralide clusters, revealing that polarization can break covalent bonds and alter cluster configurations, impacting their phase behaviors.

Contribution

It introduces the role of ionic polarization in modifying cluster structures, a novel insight into alkali-tetralide cluster chemistry.

Findings

Polarization can break up the tetralide tetrahedron into pairs.

Covalent bonds can be destroyed by polarization effects.

Cluster structures vary significantly with polarization.

Abstract

In this paper we discuss the structure of A4M4 alkali(=A)- tetralide (= M) (= group 14) clusters. Without polarization these polyions consist of a central tetralide tetrahedron with each face capped by an alkali ion. We show that ionic polarization can lead to quite different cluster structures by breaking up of the tetralide tetrahedron into pairs M_2, and it can even destroy covalent bonds in these clusters. Consequences for the structure of the solid, liquid and amorphous phase are discussed.