✦ LIBER ✦

Structure de l'ion fluoronium FH et chemin de la protonation du fluorure d'hydrogene

✍ Scribed by Claude Leibovici

Publisher: John Wiley and Sons
Year: 1974
Tongue: English
Weight: 338 KB
Volume: 8
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560080206

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✦ Synopsis

Abstract

The structure of the ion FH is investigated on the basis of semiempirical (INDO) and nonempirical (extended gaussian basis set) calculations. In agreement with experiment, both methods predict that, when going from FH to FH, there is a lengthening of the FH bond; also in agreement with infrared analysis, the calculations indicate a bent structure for the fluoronium ion (valence angle at about 120°). The analysis of the FH protonation path reveals the existence of a potential barrier which is exclusively produced by solvation effects; the dependence of the proton affinity of FH on the dielectric constant of the reaction medium is also discussed.

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