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.
|Number of pages||6|
|Journal||Angewandte Chemie (International edition)|
|Publication status||Published - 2001 Dec 17|
- Ab initio calculations
- Bond theory
- High-pressure chemistry
- Layered compounds