CAl<sub>11</sub><sup>−</sup>: a molecular rotor with a quasi-planar tetracoordinate carbon
Li-Xia Bai, Jorge Barroso, Mesías Orozco‐Ic, Filiberto Ortíz‐Chi, Jin‐Chang Guo, Gabriel Merino
Abstract
The global minimum of CAl 11 − is formed by two stacked layers, one of them resembles the well-known planar tetracoordinate carbon CAl 4 on top of a hexagonal Al@Al 6 wheel. The CAl 4 fragment rotates freely around the central axis with a negligible barrier.
Topics & Concepts
TetracoordinateCarbon fibersPlanarRotor (electric)Atomic physicsPhysicsChemistryCrystallographyMaterials scienceComputer scienceQuantum mechanicsComposite materialComputer graphics (images)Composite numberBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryFullerene Chemistry and Applications