Supramolecular aggregation of Pd{sub 6}Cl{sub 12}, a cluster of comparable size to a fullerene, with aromatic donors and with C{sub 60}
Journal Article
·
· Journal of the American Chemical Society
- Univ. of California, Davis, CA (United States)
Molecular solids comprised of octahedra, hexagonal plates, and truncated icosahedra result from the cocrystallization of Pd{sub 6}Cl{sub 12}, benzene and its methylated derivatives, and C{sub 60}. Solutions of bis(benzonitrile)palladium(II) dichloride in benzene deposit deep red crystals of solvate-free Pd{sub 6}Cl{sub 12}, 1, while solutions of bis(benzonitrile)palladium(II) dichloride in the following solvents or solutions produce binary or ternary compounds as follows: from mesitylene, Pd{sub 6}Cl{sub 12}.(CH{sub 3}){sub 3} C{sub 6}H{sub 3}(2); from mesitylene/benzene, Pd{sub 6}Cl{sub 12} .(CH{sub 3}){sub 3}C{sub 6}H{sub 3}.0.5C{sub 6}H{sub 6} (3); from durene/benzene, Pd{sub 6}Cl{sub 12}.(CH{sub 3}){sub 4}C{sub 6}H{sub 2} (4); from benzene/hexamethylbenzene, Pd{sub 6}Cl{sub 12}.1.5(CH{sub 3}){sub 6}C{sub 6} (5); from benzene/biphenyl, Pd{sub 6}Cl{sub 12}.(C{sub 6}H{sub 5}){sub 2} (6); and from benzene/fullerene C{sub 60}, Pd{sub 6}Cl{sub 12} .0.5C{sub 60}.1.5C{sub 6}H{sub 6} (7). The geometric structures of each of these seven compounds have been determined by X-ray crystallography, and the electronic structure of Pd{sub 6}Cl{sub 12} has been probed with SCF-X{alpha}-SW calculations. In each crystalline compound the structure of the Pd{sub 6}Cl{sub 12} unit is virtually invariant. It consists of an octahedral array of six palladium atoms that are surrounded by twelve equivalent chlorine atoms in edge-bridging sites. 45 refs., 13 figs., 3 tabs.
- OSTI ID:
- 374503
- Journal Information:
- Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 33 Vol. 118; ISSN JACSAT; ISSN 0002-7863
- Country of Publication:
- United States
- Language:
- English
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