Novel Alkali-Metal Coordination in Phenoxides: Powder Diffraction Results on C6H5OM (M = Li, Na, K, Rb, Cs)
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) … celý popis
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- Inorganic chemistry Ročník 36; číslo 16; s. 3398 - 3401
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American Chemical Society
30. 07. 1997
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- istex:6A3A3980D2A9F094525D18D8B43823D6D0001B55
Abstract published in Advance ACS Abstracts, July 1, 1997.
ark:/67375/TPS-K3JZJFSB-X - ISSN
- 0020-1669
1520-510X - DOI
- 10.1021/ic961385i
| Abstract | 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 [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 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. |
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| AbstractList | 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 [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 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. |
| Author | Pink, Maren Sieler, J Stephens, P. W Dinnebier, R. E |
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| Notes | istex:6A3A3980D2A9F094525D18D8B43823D6D0001B55 Abstract published in Advance ACS Abstracts, July 1, 1997. ark:/67375/TPS-K3JZJFSB-X |
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| Title | Novel Alkali-Metal Coordination in Phenoxides: Powder Diffraction Results on C6H5OM (M = Li, Na, K, Rb, Cs) |
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