Negative Hyperconjugation versus Electronegativity: Vibrational Spectra of Free Fluorinated Alkoxide Ions in the Gas Phase
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| Publication date | 2015 |
| Journal | ChemPhysChem |
| Volume | Issue number | 16 | 9 |
| Pages (from-to) | 1992-1995 |
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| Abstract | CO stretching frequencies of free, gaseous, fluorinated alkoxide ions shift substantially to the blue, relative to those of corresponding alcohols complexed with ammonia. Free -fluorinated ions, pentafluoroethoxide and heptafluoroisopropoxide anions, display further blue shifts relative to cases with only -fluorination, providing experimental evidence for fluorine negative hyperconjugation. DFT analysis with the atoms in molecules (AIM) method confirms an increase in CO bond order for the -fluorinated ions, demonstrating an increase in carbonyl character for the free ions. |
| Document type | Article |
| Note | With supporting information |
| Language | English |
| Published at |
https://doi.org/10.1002/cphc.201500177
(Final published version)
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