Structural Chemistry of Boron Clusters at Řež near Prague. The Finalized Story of a Reaction

Abstrakt

This article is an example of how the modern computational methods, such as the ab initio/GIAO/NMR method, have been successfully used in boron cluster chemistry. The computational protocol was used in order to elucidate the molecular structure of an arachno-borane cluster, hitherto not structurally characterized. The obtained results are discussed and compared with arachno clusters of similar dimensions.