Planar Tetracoordinate Hydrogen: Pushing the Limit of Multicentre Bonding
Amlan J. Kalita, Shahnaz S. Rohman, Prem Prakash Sahu, Ankur K. Guha
Abstract
Abstract Among the list of planar tetracoordinate atoms, the smallest element hydrogen is missing. No experimental and theoretical evidence have ever been put forwarded. Herein, we introduce the first planar tetracoordinate hydrogen atom (ptH) in the global minimum geometry of In 4 H + cluster. Bonding analysis indicates that the central hydrogen atom is acting like a proton and significant charge transfer from the surrounding In 4 framework results in a negative charge of the central hydrogen atom. The proposed global minimum geometry possesses σ‐aromaticity and the central hydrogen atom forms unusual multicentre bond with more than three centres.
Topics & Concepts
TetracoordinateHydrogen atomPlanarHydrogenAtom (system on chip)Cluster (spacecraft)Hydrogen bondProtonChemistryCrystallographyAtomic physicsChemical physicsMoleculePhysicsGroup (periodic table)Computer scienceNuclear physicsEmbedded systemOrganic chemistryComputer graphics (images)Programming languageBoron and Carbon Nanomaterials ResearchHydrogen Storage and MaterialsCrystallography and molecular interactions