Inorganic Chemistry, Vol.37, No.20, 5046-5049, 1998
Preparation, structure, and density functional calculation of the solvent-separated ion pair [(H5C2)Al(OC6H5)(3)(-)- Li+-(-)(H5C6O)(3)Al(C4H9)](-)[Li+(DME)(3)]
Dimeric aluminum triethyl reacts in dimethoxyethane solution under argon with phenol and lithium n-butyl to the crystalline ethylaluminum-lithium-butylaluminum hexaphenolate salt with a solvent-separated tris(dimethoxyethane)lithium cation. Its structure determination at 130 It (monoclinic P2(1)/c with Z = 4, fw = 968.4, a = 1275.6(1) Angstrom, b = 1889.0(1) Angstrom, c = 2381.5(1) Angstrom, and beta = 104.59(1)degrees, wR(2) = 0.177) proves a linear arrangement of the {Al(O)...Li...(O)Al} centers. Density function calculations based on the structural coordinates provide information on the charge distribution.
Keywords:WRAPPED POLYION AGGREGATE;CRYSTALLIZATION