화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.110, No.14, 4619-4621, 2006
An anomalous bond angle in (116)H-2 center dot theoretical evidence for supervalent hybridization
The electronic structure and geometry of the superheavy group VI molecule (I 16)H, are examined and compared to those of the lighter group analogues H2O-PoH2. 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.