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Effect of crystal packing on the structures of polymeric metallocenes

In English

Författare

Summary, in English

The pressure dependencies of the crystal structures of the polymeric metallocenes lithium cyclopentadienide (LiCp) and potassium cyclopentadienide (KCp) have been determined by synchrotron X-ray powder diffraction. The decrease of the volume of LiCp by 34% up to a pressure of p = 12.2 GPa and of KCp by 23% at p = 5.3 GPa as well as the bulk moduli of K = 7.7 GPa for LiCp and 4.9 GPa for KCp indicate a high compressibility for these compounds. The crystal structures of KCp have been determined up to p = 3.9 GPa. An increase of the bend angle is found from 450 at P = 0 GPa up to 510 at p = 3.9 GPa. This variation is completely explained by a model invoking attractive K+ Cp- interaction and repulsive nonbonded carbon-carbon interactions. It is proposed that the bend angle in the polymeric alkali metal metallocenes is the result of the optimization of the crystal packing.

Publiceringsår

2005

Språk

Engelska

Sidor

964-968

Publikation/Tidskrift/Serie

Inorganic Chemistry

Volym

44

Issue

4

Dokumenttyp

Artikel i tidskrift

Förlag

The American Chemical Society (ACS)

Ämne

  • Natural Sciences
  • Physical Sciences

Status

Published

ISBN/ISSN/Övrigt

  • ISSN: 1520-510X