Effect of Crystal Packing on the Structures of Polymeric Metallocenes
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- 作者：R. E. Dinnebier ; Sander van Smaalen ; F. Olbrich ; and S. Carlson
- 刊名：Inorganic Chemistry
- 出版年：2005
- 出版时间：February 21, 2005
- 年：2005
- 卷：44
- 期：4
- 页码：964 - 968
- 全文大小：117K
- 年卷期：v.44,no.4(February 21, 2005)
- ISSN：1520-510X
文摘
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 decreaseof 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 asthe 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 foundfrom 45
at p = 0 GPa up to 51 at p = 3.9 GPa. This variation is completely explained by a model invokingattractive K+ Cp- interaction and repulsive nonbonded carbon-carbon interactions. It is proposed that the bendangle in the polymeric alkali metal metallocenes is the result of the optimization of the crystal packing.
at p = 0 GPa up to 51 at p = 3.9 GPa. This variation is completely explained by a model invokingattractive K+ Cp- interaction and repulsive nonbonded carbon-carbon interactions. It is proposed that the bendangle in the polymeric alkali metal metallocenes is the result of the optimization of the crystal packing.