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Spectroscopic Identification of a Bidentate Binding Motif in the Anionic Magnesium–CO2 Complex ([ClMgCO2]−) |
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| Authors: | Glenn B. S. Miller Tim K. Esser Harald Knorke Sandy Gewinner Dr. Wieland Schöllkopf Dr. Nadja Heine Prof. Dr. Knut R. Asmis Prof. Dr. Einar Uggerud |
| Affiliation: | 1. Massespektrometrilaboratoriet and Senter for teoretisk og beregningsbasert kjemi (CTCC), Kjemisk institutt, Universitetet i Oslo, Postboks 1033 Blindern, 0315 Oslo (Norway);2. Wilhelm‐Ostwald‐Institut für Physikalische und Theoretische Chemie, Universit?t Leipzig, Linnéstr. 2, 04103 Leipzig (Germany);3. Fritz‐Haber‐Institut der Max‐Planck‐Gesellschaft, Faradayweg 4‐6, 14195 Berlin (Germany) |
| Abstract: | A magnesium complex incorporating a novel metal–CO2 binding motif is spectroscopically identified. Here we show with the help of infrared photodissociation spectroscopy that the complex exists solely in the [ClMg(η2‐O2C)]? form. This bidentate double oxygen metal–CO2 coordination has previously not been observed in neutral nor in charged unimetallic complexes. The antisymmetric CO2 stretching mode in [ClMg(η2‐O2C)]? is found at 1128 cm?1, which is considerably redshifted from the corresponding mode in bare CO2 at 2349 cm?1, suggesting that the CO2 moiety has a considerable negative charge (～1.8 e?). We also employed electronic structure calculations and kinetic analysis to support the interpretation of the experimental results. |
| Keywords: | carbon dioxide IR spectroscopy magnesium mass spectrometry structure elucidation |