HLi<sub>4</sub>Cl<sub>4</sub><sup>−</sup>: a planar tetracoordinate hydrogen superhalogen anion
Hui-Feng Yan, Jin‐Chang Guo
Abstract
cluster has a large vertical detachment energy (7.33 eV) at the CCSD(T) level and can be seen as a superhalogen anion. The current work not only proposes an "altering the auxiliary atoms" strategy for designing new ptH species, but also provides an important bridge between ptH chemistry and superhalogens.
Topics & Concepts
TetracoordinateTernary operationPlanarIonHydrogenChemistryCrystallographyOrganic chemistryComputer graphics (images)Programming languageComputer scienceInorganic Fluorides and Related CompoundsCrystallography and molecular interactionsCrystal Structures and Properties