An anomalous bond angle in 116H2. Theoretical evidence for supervalent hybridization

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 an...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2006-04, Vol.110 (14), p.4619-4621
Hauptverfasser: Nash, Clinton S, Crockett, Wesley W
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:1089-5639