Title data
Krüger, Markus ; Lamann-Glees, Alexandra ; Sebastian, Sean S. ; Siegel, Renée ; Senker, Jürgen ; Hempelmann, Jan ; Dronskowski, Richard ; Ruschewitz, Uwe:
Na₂C₃O₂ : The First Crystalline Compound with the Elusive ⁻C≡C−COO⁻ Anion.
In: Angewandte Chemie International Edition.
Vol. 63
(2024)
Issue 22
.
- e202402978.
ISSN 1521-3773
DOI: https://doi.org/10.1002/anie.202402978
Abstract in another language
By reaction of sodium electride or NaC2H with the anhydrous sodium salt of propiolic acid, Na(OOC-C equivalent to C-H), in liquid ammonia crystalline powders of Na2C3O2 were obtained. The structure analysis based on synchrotron powder diffraction data revealed that Na2C3O2 crystallizes in a monoclinic unit cell (I2/a, Z=4) exhibiting the elusive Y-shaped -C equivalent to C-COO- anion, which is unprecedented in a crystalline compound up to now. IR/Raman and solid-state NMR spectroscopic investigations with assignments supported by DFT-based ab initio calculations confirm this finding. Reaction with sodium electride led to a higher crystallinity of the product, but additionally a by-product apparently due to decomposition and polymerization of Na2C3O2 was formed. No such by-product was observed in the reaction with NaC2H, which turned out to be a milder metalation route. However, the product of the latter reaction is less crystalline.
Further data
Item Type: | Article in a journal |
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Refereed: | Yes |
Additional notes: | WOS:001202637000001 |
Keywords: | acetylide; carboxylate; janus-faced; sodium; synchrotron powder diffraction |
Institutions of the University: | Faculties > Faculty of Biology, Chemistry and Earth Sciences Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry III Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Inorganic Chemistry III > Chair Inorganic Chemistry III - Univ.-Prof. Dr. Jürgen Senker Research Institutions > Central research institutes > Nordbayerisches Zentrum für NMR-Spektroskopie - NMR-Zentrum |
Result of work at the UBT: | Yes |
DDC Subjects: | 500 Science 500 Science > 540 Chemistry |
Date Deposited: | 06 Feb 2025 12:20 |
Last Modified: | 06 Feb 2025 12:20 |
URI: | https://eref.uni-bayreuth.de/id/eprint/92314 |