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Dinnebier RE, Pink M, Sieler J, et al. Novel Alkali-Metal Coordination in Phenoxides: Powder Diffraction Results on C(6)H(5)OM (M = Li, Na, K, Rb, Cs). Inorg Chem. 1997;36(16):3398-3401doi: 10.1021/ic961385i.
Dinnebier, R. E., Pink, M., Sieler, J., & Stephens, P. W. (1997). Novel Alkali-Metal Coordination in Phenoxides: Powder Diffraction Results on C(6)H(5)OM (M = Li, Na, K, Rb, Cs). Inorganic chemistry, 36(16), 3398-3401. https://doi.org/10.1021/ic961385i
Dinnebier, R. E., et al. "Novel Alkali-Metal Coordination in Phenoxides: Powder Diffraction Results on C(6)H(5)OM (M = Li, Na, K, Rb, Cs)." Inorganic chemistry vol. 36,16 (1997): 3398-3401. doi: https://doi.org/10.1021/ic961385i
Dinnebier RE, Pink M, Sieler J, Stephens PW. Novel Alkali-Metal Coordination in Phenoxides: Powder Diffraction Results on C(6)H(5)OM (M = Li, Na, K, Rb, Cs). Inorg Chem. 1997 Jul 30;36(16):3398-3401. doi: 10.1021/ic961385i. PMID: 11670012.
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Inorg Chem. 1997 Jul 30;36(16):3398-3401. doi: 10.1021/ic961385i.

Novel Alkali-Metal Coordination in Phenoxides: Powder Diffraction Results on C(6)H(5)OM (M = Li, Na, K, Rb, Cs).

Inorganic chemistry

R. E. Dinnebier, Maren Pink, J. Sieler, P. W. Stephens

Affiliations

  1. Department of Physics, State University of New York at Stony Brook, Stony Brook, New York 11794-3800, and Institut für Anorganische Chemie, Universität Leipzig, 04103 Leipzig, Germany.

PMID: 11670012 DOI: 10.1021/ic961385i

Abstract

We report the ab initio structure solutions of C(6)H(5)OM (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 Pna2(1), 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 [M([6])] 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 P2(1)/a with lattice parameters a = 22.594 Å, b = 4.7459 Å, c= 10.053 Å, and beta = 97.82 degrees 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.

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