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http://repositorio.ufla.br/jspui/handle/1/41839| Title: | Gauche preference of β-fluoroalkyl ammonium salts |
| Keywords: | Electrostatics Molecular properties Conformation Molecular structure Cations |
| Issue Date: | 30-Dec-2013 |
| Publisher: | American Chemical Society (ACS) |
| Citation: | SILLA, J. M. et al. Gauche preference of β-fluoroalkyl ammonium salts. The Journal of Physical Chemistry A, [S.l.], v. 118, n. 2, p. 503-507, Dec. 2013. DOI: 10.1021/jp410458w. |
| Abstract: | The strong gauche preference along with the F–C–C–N+ fragment in 3-fluoropiperidinium cation and analogues, in the gas phase, is dictated by electrostatic interactions, which can be both hydrogen bond F···H(N+) and F/N+ attraction. In aqueous solution, where most biochemical processes take place, electrostatic effects are strongly attenuated and hyperconjugation is calculated to be at least competitive with Lewis-type interactions. |
| URI: | https://pubs.acs.org/doi/10.1021/jp410458w http://repositorio.ufla.br/jspui/handle/1/41839 |
| Appears in Collections: | DQI - Artigos publicados em periódicos |
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