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Theoretical study of the structure of (O→Si)-(acetoxymethyl)trifluorosilane dimers |
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| Authors: | N. N. Chipanina T. N. Aksamentova M. G. Voronkov V. K. Turchaninov |
| Affiliation: | (1) A. E. Favorsky Irkutsk Institute of Organic Chemistry, Siberian Division, Russian Academy of Sciences, Russia |
| Abstract: | According to the data of quantum chemical calculations (HF, DFT), the isolated sp,sp conformer of (acetoxymethyl)trifluorosilane — pentacoordinated silicon compound — forms dimers with two intermolecular bonds Si-F→Si. The =O→Si intramolecular coordination bonds become stronger, which leads to the general stabilizing effect. In polar media, dimer formation is energetically unfavorable relative to monomer formation. |
| Keywords: | (acetoxymethyl)trifluorosilane ab initio quantum chemical calculations intermolecular coordination of fluoroorganylsilanes =O→ Si xxx Si-F→ Si coordination bonds pentacoordinated silicon atoms |
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