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- W3124387764 abstract "The crystal structures of sodium ethoxide (sodium ethanolate, NaOEt), sodium n -propoxide (sodium n -propanolate, NaO n Pr), sodium n -butoxide (sodium n -butanolate, NaO n Bu) and sodium n -pentoxide (sodium n -amylate, NaO n Am) were determined from powder X-ray diffraction data. NaOEt crystallizes in space group P 4 2 1 m , with Z = 2, and the other alkoxides crystallize in P 4/ nmm , with Z = 2. To resolve space-group ambiguities, a Bärnighausen tree was set up, and Rietveld refinements were performed with different models. In all structures, the Na and O atoms form a quadratic net, with the alkyl groups pointing outwards on both sides (anti-PbO type). The alkyl groups are disordered. The disorder becomes even more pronounced with increasing chain length. Recrystallization from the corresponding alcohols yielded four sodium alkoxide solvates: sodium ethoxide ethanol disolvate (NaOEt·2EtOH), sodium n -propoxide n -propanol disolvate (NaO n Pr·2 n PrOH), sodium isopropoxide isopropanol pentasolvate (NaO i Pr·5 i PrOH) and sodium tert -amylate tert -amyl alcohol monosolvate (NaO t Am· t AmOH, t Am = 2-methyl-2-butyl). Their crystal structures were determined by single-crystal X-ray diffraction. All these solvates form chain structures consisting of Na + , –O − and –OH groups, encased by alkyl groups. The hydrogen-bond networks diverge widely among the solvate structures. The hydrogen-bond topology of the i PrOH network in NaO i Pr·5 i PrOH shows branched hydrogen bonds and differs considerably from the networks in pure crystalline i PrOH." @default.
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- W3124387764 date "2021-01-21" @default.
- W3124387764 modified "2023-10-17" @default.
- W3124387764 title "Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates" @default.
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- W3124387764 doi "https://doi.org/10.1107/s205252062001584x" @default.
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