Journal of Molecular Structure p. 179 - 188 (1995)
Update date:2022-08-11
Topics:
Harmon, Kenneth M.
Bulgarella, Jennifer A.
We have investigated hydrate formation by dimethonium and pentamethonium - (CH3)3N+-(CH2)n-+N(CH3)3 where n = 2 and 5 - bromide, chloride, and fluoride.Dimethonium bromide forms a dihydrate which contains a C2h(H2O*Br-)2 planar cluster.Dimethonium chloride forms a hypobarogenic dihydrate which is crystalline at reduced pressure but disproportionates to anhydrous material and liquid hexahydrate.Dimethonium fluoride forms three hydrates, a hexahydrate, tetrahydrate, and dihydrate.These hydrates, which represent fluoride ion trihydrate, dihydrate, and monohydrate respectively, have water-fluoride structures similar to those observed for a variety of other quaternary ammonium fluoride hydrates of corresponding stoichiometry; the dihydrate contains C2h(H2O*F-)2 clusters.Pentamethonium bromide and chloride form crystalline dihydrates (halide ion monohydrates) which do not contain planar (H2O*X-)2 clusters.Pentamethonium fluoride forms a trihydrate with unknown structure and, unlike other quaternary ammonium fluorides, does not form a fluoride ion monohydrate with (H2O*F-)2 clusters.The fact that the odd-numbered pentamethonium ion (C2v) fails to form halide dihydrates with planar (H2O*X-)2 clusters while the even-numbered dimethonium, hexamethonium, and decamethonium ions (C2h) all do may be a function of ion symmetry; however, further studies are required to clarify this point.FT-NMR study of the pentamethonium ion in aqueous solution and molecular modeling shows that rotation about the C1-C2 and C4-C5 ?-bonds is not possible, while rotation about the C2-C3 or C3-C4 bonds does take place.
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