Concentric Inner 2π/6σ and Outer 10π/14σ Aromaticity Underlies the Dynamic Structural Fluxionality of Planar B19 – Wankel Motor Cluster

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 125; no. 23; pp. 5022 - 5030
• Main Authors: Li, Rui, You, Xue-Rui, Guo, Jin-Chang, Zhai, Hua-Jin
• Format: Journal Article
• Language: English
• Published: American Chemical Society 17.06.2021
• Subjects: A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters

Planar C 2v B19 – global-minimum (GM) cluster is known as a molecular Wankel motor, featuring unique chemical bonding and structural fluxionality. While the geometry, bonding, and molecular dynamics of the cluster are documented in the literature, it remains warranted to fully understand its bonding...