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Abstract An ab initio calculation has been performed for the complexes of F2C CFTF3 (T C, Si, and Ge) with three Lewis bases including H2CO, H2O, and NH3. Most complexes… Click to show full abstract
Abstract An ab initio calculation has been performed for the complexes of F2C CFTF3 (T C, Si, and Ge) with three Lewis bases including H2CO, H2O, and NH3. Most complexes are stabilized by tetrel bonds together with weak hydrogen bonds. The Lewis bases can be introduced to the σ-hole and π-hole of F2C CFTF3, but the σ-hole bonded complexes are preferential for F2C CFTF3 (T Si and Ge), while the π-hole bonded complexes are favorable for F2C CFCF3. Hybridization of the carbon atom adjoined with the SiF3 group strengthens the σ-hole tetrel bond in the order sp3
Journal Title: Journal of Fluorine Chemistry
Year Published: 2018
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