Structure and bonding of molecular stirrers with formula B<sub>7</sub>M<sub>2</sub><sup>−</sup> and B<sub>8</sub>M<sub>2</sub> (M = Zn, Cd, Hg)
Rui Yu, Jorge Barroso, Menghui Wang, Wei‐yan Liang, Chen Chen, Ximena Zárate, Mesías Orozco‐Ic, Zhong‐hua Cui, Gabriel Merino
Abstract
complexes with double (σ + π) aromatic boron wheels and a single bond for the metallic dimer. Above all, the computed rotational barriers of the M-M fragment with respect to the boron disk and molecular dynamics simulations indicate a virtually barrierless spin, resembling a magnetic stirrer on a baseplate.
Topics & Concepts
BoronDimerCrystallographyMolecular dynamicsChemistryMetalAtomic physicsComputational chemistryPhysicsOrganic chemistryBoron Compounds in ChemistryBoron and Carbon Nanomaterials ResearchOrganoboron and organosilicon chemistry