[(BeCl₂)₂(18-Krone-6)] und sein Hydrolyseprodukt [{Be₃(µ-OH)₃(H₂O)₆}(18-Krone-6)]Cl₃*3H₂O: Kristallstrukturen und DFT-Rechnungen

Kurt Dehnicke (1) , Ralph Puchta (2)

1 Chemie
2 Chemie

Beryllium dichloride reacts in dichloromethane suspension with 18-crown-6 to give the molecular centrosymmetric complex [(BeCl2)2(18-crown-6)] (1), which was characterized by single crystal X-ray diffraction, by vibrational spectroscopy (IR, Raman), and by DFT calculations. 1 crystallizes monoclinically in the space group P2₁/n with Z = 2. Lattice dimensions at 100(2) K: a = 747.5(1), b = 1373.9(1), c = 899.1(1) pm, β = 94.84(1)°, R₁ = 0.0233. Exposition of 1 to moist atmosphere leads to single crystals of [{Be3(µ OH)3(H2O)6}(18 crown-6)]Cl3*3H2O (2*3H2O), which are characterized by X-ray diffraction. 2 crystallizes in the triclinic space group P1- with Z = 2. Lattice dimensions at 100(2) K: a = 1046.04(9), b = 1236.12(11), c = 1275.72(13) pm, α = 80.233(8)°, β = 66.439(7)°, γ = 80.053(7)°, R₁ = 0.0476.

Mots clés: Physical Sciences

Kurt Dehnicke, Ralph Puchta. [(BeCl₂)₂(18-Krone-6)] und sein Hydrolyseprodukt [{Be₃(µ-OH)₃(H₂O)₆}(18-Krone-6)]Cl₃*3H₂O: Kristallstrukturen und DFT-Rechnungen. Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2010, 636 (13-14), pp.2364. ⟨10.1002/zaac.201000250⟩. ⟨hal-00599884⟩