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