M. Olmstead, Arwa S. Ginwalla, B. Noll
Aug 21, 1996
Citations
0
Influential Citations
32
Citations
Journal
Journal of the American Chemical Society
Abstract
Molecular solids comprised of octahedra, hexagonal plates, and truncated icosahedra result from the co-crystallization of Pd6Cl12, benzene and its methylated derivatives, and C60. Solutions of bis(benzonitrile)palladium(II) dichloride in benzene deposit deep red crystals of solvate-free Pd6Cl12, 1, while solutions of bis(benzonitrile)palladium(II) dichloride in the following solvents or solutions produce binary or ternary compounds as follows: from mesitylene, Pd6Cl12·(CH3)3C6H3 (2); from mesitylene/benzene, Pd6Cl12·(CH3)3C6H3·0.5C6H6 (3); from durene/benzene, Pd6Cl12·(CH3)4C6H2 (4); from benzene/hexamethylbenzene, Pd6Cl12·1.5(CH3)6C6 (5); from benzene/biphenyl, Pd6Cl12·(C6H5)2 (6); and from benzene/fullerene C60, Pd6Cl12·0.5C60·1.5C6H6 (7). The geometric structures of each of these seven compounds have been determined by X-ray crystallography, and the electronic structure of Pd6Cl12 has been probed with SCF−Xα−SW calculations. In each crystalline compound the structure of the Pd6Cl12 unit is virtually i...