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Wrackmeyer, Bernd ; Klimkina, Elena V. ; Milius, Wolfgang:
1,3,2-Diselenaborolanes with an Annelated Dicarba-closo-dodecaborane(12) Unit : Synthesis, Molecular Structure and Reactivity.
In: European Journal of Inorganic Chemistry.
Bd. 28
(8 Oktober 2011)
.
- S. 4481-4492.
ISSN 1099-0682
DOI: https://doi.org/10.1002/ejic.201100563
Abstract
Exchange reactions of 2,2-dimethyl-1,3-diselena-2-silacyclopentane and 2,2,3,3-tetramethyl-1,4-diselena-2,3-disilacyclohexane, as the 4,5- and 5,6-[1,2-dicarba-closo-dodecaborano(12)] derivatives, respectively, with boron trihalides (BCl3, BBr3, BI3) and dichlorides (PhBCl2, iPr2NBCl2) afford the corresponding 1,3,2-diselenaborolanes in essentially quantitative yield. The products were characterized in solution by multinuclear magnetic resonance spectroscopy (1H, 11B, 13C, 29Si, 77Se), and for two products, in the solid state by X-ray structural analysis. Attempts to synthesize the boron fluoride failed, and the methoxy derivative was obtained in a mixture with a decomposition product. The gas-phase structures of all relevant products were optimized by DFT hybrid methods [RB3LYP/6-311+G(d.p) level of theory], and NMR parameters (shielding constants and spin–spin coupling constants) were calculated. The calculated data compare well with experimental data, both for the structures and the NMR spectroscopic parameters.
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| Publikationsform: | Artikel in einer Zeitschrift |
|---|---|
| Begutachteter Beitrag: | Ja |
| Keywords: | Main group elements; Carboranes; Boron; Selenium; Heterocycles; Density functional calculations; Multinuclear NMR spectroscopy |
| Institutionen der Universität: | Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften > Fachgruppe Chemie > Lehrstuhl Anorganische Chemie I Fakultäten Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften Fakultäten > Fakultät für Biologie, Chemie und Geowissenschaften > Fachgruppe Chemie |
| Titel an der UBT entstanden: | Ja |
| Themengebiete aus DDC: | 500 Naturwissenschaften und Mathematik > 540 Chemie |
| Eingestellt am: | 22 Mär 2018 13:59 |
| Letzte Änderung: | 22 Mär 2018 13:59 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/9873 |