Effect of crystal packing on the structures of polymeric metallocenes
(2005) In Inorganic Chemistry 44(4). p.964-968- Abstract
- 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... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/251898
- author
- Dinnebier, R E ; van Smaalen, S ; Olbrich, F and Carlson, Stefan LU
- organization
- publishing date
- 2005
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Inorganic Chemistry
- volume
- 44
- issue
- 4
- pages
- 964 - 968
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- wos:000227172200035
- pmid:15859275
- scopus:13844253627
- ISSN
- 1520-510X
- DOI
- 10.1021/ic049214y
- language
- English
- LU publication?
- yes
- id
- bd4276fd-79bf-43d3-9cc0-06d74a0be543 (old id 251898)
- date added to LUP
- 2016-04-01 12:24:59
- date last changed
- 2022-01-27 03:27:25
@article{bd4276fd-79bf-43d3-9cc0-06d74a0be543,
abstract = {{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.}},
author = {{Dinnebier, R E and van Smaalen, S and Olbrich, F and Carlson, Stefan}},
issn = {{1520-510X}},
language = {{eng}},
number = {{4}},
pages = {{964--968}},
publisher = {{The American Chemical Society (ACS)}},
series = {{Inorganic Chemistry}},
title = {{Effect of crystal packing on the structures of polymeric metallocenes}},
url = {{http://dx.doi.org/10.1021/ic049214y}},
doi = {{10.1021/ic049214y}},
volume = {{44}},
year = {{2005}},
}