Fluoride affinities of fluorinated alanes |
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Authors: | Jamelle KP Williams Paul G Wenthold |
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Institution: | The Department of Chemistry, Purdue University, West Lafayette, IN 47907, United States |
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Abstract: | The fluoride affinities of fluorinated alanes, AlHmF3?m (m = 1–3) were measured using energy-resolved collision-induced dissociation of fluorinated aluminate anions. The AlHmF4?m? anions were formed by reaction of dimethylethylamine-alane with fluoride ion and F2. From the measured bond dissociation energies, the fluoride affinities of fluorinated alanes are determined to be 93.2 ± 3.1, 97.5 ± 4.0, and 108.6 ± 3.7 kcal/mol for m = 3, 2, and 1, respectively. The fluoride affinities are in good agreement with the theoretical calculations at the CCSD(T)/CBS and B3LYP/6-31 + G* levels of theory. The increased Lewis acidity of more fluorinated alanes is attributed to increased positive charge density on the aluminum. |
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