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Novel Alkali-Metal Coordination in Phenoxides : Powder Diffraction Results on C₆H₅OM (M = Li, Na, K, Rb, Cs)

Title data

Dinnebier, Robert E. ; Pink, Maren ; Sieler, J. ; Stephens, Peter W.:
Novel Alkali-Metal Coordination in Phenoxides : Powder Diffraction Results on C₆H₅OM (M = Li, Na, K, Rb, Cs).
In: Inorganic Chemistry. Vol. 36 (1997) Issue 16 . - pp. 3398-3401.
ISSN 1520-510X
DOI: https://doi.org/10.1021/ic961385i

Abstract in another language

We report the ab initio structure solutions of C6H5OM (M = K, Rb, Cs) by high-resolution powder X-ray diffraction. The compounds, which are of interest for reactions of the Kolbe−Schmitt type, are isostructural. The crystal structures are orthorhombic, space group Pna21, Z = 12, with lattice parameters (a, b, c in Å) 14.1003(1), 17.9121(1), and 7.16475(1) for the K compound, 14.4166(2), 18.2028(2), and 7.4009(1) for the Rb compound, and 14.8448(2), 18.5070(2), and 7.6306(1) for the Cs compound. They have a chain structure M6] ] along the crystallographic c axis. This is a very unusual arrangement in which two different alkali-metal coordination spheres are observed: a distorted octahedron and a 3-fold oxygen coordination. In the latter, the 3-fold-coordinated unsaturated alkali metals additionally show weak interactions with phenyl rings. We also give powder patterns for the compounds with M = Li, Na. The former crystallizes in the monoclinic space group P21/a with lattice parameters a = 22.594 Å, b = 4.7459 Å, c = 10.053 Å, and β = 97.82° with Z = 8, but no structure solution was possible. The powder pattern for the Na phenolate is in agreement with the earlier single-crystal structure.

Further data

Item Type: Article in a journal
Refereed: Yes
Additional notes: PMID: 11670012
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 14 Jun 2016 12:36
Last Modified: 14 Jun 2016 12:36
URI: https://eref.uni-bayreuth.de/id/eprint/32677