Effect of Crystal Packing on the Structures of Polymeric Metallocenes

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 45° at p = 0 GPa up to 51° 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. … celý popis

Podrobná bibliografie

Publikováno v

Inorganic chemistry Ročník 44; číslo 4; s. 964 - 968

Hlavní autoři

Dinnebier, R. E, van Smaalen, Sander, Olbrich, F, Carlson, S

Typ dokumentu

Journal Article

Jazyk

English

Vydáno

United States American Chemical Society 21. 02. 2005

Témata

Fysik

Natural Sciences

Naturvetenskap

Physical Sciences

Bibliografie

ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23

ISSN

0020-1669
1520-510X
1520-510X

DOI

10.1021/ic049214y