Electron density – structure relationships in some perovskite-type compounds

Hester, James; Maslen, E. N.

doi:10.1107/s0108768195003405

Cited by 6 publications

(1 citation statement)

References 8 publications

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“…However, studies are mainly focused on silicates. To the best of our knowledge, topological studies on Si−N bonds as well as those on Si−F bonds based on data from high-resolution X-ray experiments are not yet available …”

Section: Introductionmentioning

confidence: 99%

Si−E (E = N, O, F) Bonding in a Hexacoordinated Silicon Complex: New Facts from Experimental and Theoretical Charge Density Studies

et al. 2004

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The concept of hypervalency in molecules, which hold more than eight valence electrons at the central atom, still is a topic of constant debate. There is general interest in silicon compounds with more than four substituents at the central silicon atom. The dispute, whether this silicon is hypervalent or highly coordinated, is enlightened by the first experimental charge density determination and subsequent topological analysis of three different highly polar Si-E (E = N, O, F) bonds in a hexacoordinated compound. The experiment reveals predominantly ionic bonding and much less covalent contribution than commonly anticipated. For comparison gas-phase ab initio calculations were performed on this compound. The results of the theoretical calculations underline the findings of the experiment.

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Section: Introductionmentioning

confidence: 99%