title: An anomalous bond angle in 116H2. Theoretical evidence for supervalent hybridization.
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.
authors.affiliation: Department of Chemistry and Physics, University of New England, 11 Hills Beach Road, Biddeford, Maine 04005, USA. cnash@une.edu
authors.forename: Clinton S
authors.initials: CS
authors.lastname: Nash
authors.forename: Wesley W
authors.initials: WW
authors.lastname: Crockett