TIF and PbO under high pressure: Unexpected persistence of the stereochemically active electron pair

Ulrich Häussermann, Pedro Berastegui, Stefan Carlson, Julien Haines, Jean Michel Léger

Research output: Contribution to journalArticlepeer-review

32 Citations (SciVal)

Abstract

Even under a pressure of 46 GPa, the low-symmetry lone-pair structures of isoelectronic TIF and PbO (see picture for β-PbO), classic examples of systems with a stereochemically active lone pair, resist transformation into the corresponding high-symmetry NaCl and CsCl structures. Ab initio calculations allowed a simple bonding picture for lone-pair structures involving inert-pair elements to be developed.

Original languageEnglish
Pages (from-to)4624-4629
Number of pages6
JournalAngewandte Chemie (International edition)
Volume40
Issue number24
DOIs
Publication statusPublished - 2001 Dec 17

Keywords

  • Ab initio calculations
  • Bond theory
  • High-pressure chemistry
  • Layered compounds

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