Breaking the plane: B5H5 is a three-dimensional structure

Phys Chem Chem Phys. 2024 Mar 6;26(10):8089-8093. doi: 10.1039/d4cp00029c.

Abstract

In this study, we delved into the structure of B5H5 and questioned some of its accepted assumptions. By exploring the potential energy surface, we found a new three-dimensional structure as the global minimum. This finding is in contrast with the previously hypothesized planar and cage-like models. Our exploration extends to the kinetic stability of various B5H5 isomers, offering insights into the dynamic behavior of these molecules.