Crystal Structures of Benzo-18-Crown-6 Complexes with Oxonium Hexafluorotantalate and Oxonium Hexafluoroniobate

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Title:	Crystal Structures of Benzo-18-Crown-6 Complexes with Oxonium Hexafluorotantalate and Oxonium Hexafluoroniobate
Authors:	王文竹
Contributors:	淡江大學化學學系
Date:	2006-12
Issue Date:	2011-10-15 23:15:50 (UTC+8)
Abstract:	The crystal structures of [(benzo-18-crown-6) · H3O]TaF6 and [(benzo-18-crown-6) · H3O]NbF6 complex compounds are determined by X-ray diffraction. It is revealed that the tantalum complex has two polymorphic modifications, namely, the monoclinic (I) and orthorhombic (II) modifications. The unit cell parameters of these compounds are as follows: a = 14.784(2) Å, b = 8.390(4) Å, c = 18.005(6) Å, β = 95.78(2)°, Z = 4, and space group P21/n for modification I; and a = 8.456(2) Å, b = 21.967(5) Å, c = 24.122(5) Å, Z = 8, and space group Pbca for modification II. The orthorhombic niobium complex [(benzo-18-crown-6) · H3O]NbF6 with the unit cell parameters a = 8.454(1) Å, b = 21.943(3) Å, c = 24.127(4) Å, Z = 8, and space group Pbca (III) is isostructural with tantalum complex II. The oxonium cation in complexes I–III is encapsulated by the crown ether and thus forms one ordinary and two bifurcate hydrogen bonds with the oxygen atoms of the crown ether. This macrocyclic cation is bound to the anions through the C-H ...F contacts (H...F, 2.48–2.58 Å).
Relation:	Crystallography Reports 51, pp.804-810
DOI:	10.1134/S1063774506050099
Appears in Collections:	[Graduate Institute & Department of Chemistry] Journal Article

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