An Anomalous Bond Angle in (116)H2. Theoretical Evidence for Supervalent Hybridization

2006/03/18 by Clinton S. Nash, Wesley W. Crockett · 2 citations
Chemistry · Physics and Astronomy · #Inorganic Fluorides and Related Compounds #Advanced Chemical Physics Studies #Molecular Spectroscopy and Structure #Orbital hybridisation #Atomic orbital #Valence bond theory #Molecular geometry #Valence (chemistry) #Bond length #Group (periodic table) #Chemistry #Molecule #Crystallography #Molecular orbital #Atomic physics #Physics #Molecular physics #Crystal structure #Electron #Quantum mechanics

paper · doi:10.1021/jp060888z

openalex publication_date 2006/03/18 · openalex created_date 2016/06/24 · openalex updated_date 2026/06/16

Abstract

The electronic structure and geometry of the superheavy group VI molecule (116)H(2) are examined and compared to those of the lighter group analogues H(2)O-PoH(2). The spin-orbit interaction is found to lengthen the (116)-H bond and more importantly lead to a modest but significant H-(116)-H bond angle increase. It is suggested that the latter is the result of a rehybridization of the valence 7p orbitals with a "supervalent" 8s orbital of element 116.

Citations

• Element 118: The First Rare Gas with an Electron Affinity
• Spin−Orbit Effects, VSEPR Theory, and the Electronic Structures of Heavy and Superheavy Group IVA Hydrides and Group VIIIA Tetrafluorides. A Partial Role Reversal for Elements 114 and 118

Cited by

• Electronic Structure and Chemistry of the Heaviest Elements
• Livermorium [wikipedia]