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Crystal and molecular structure of tetrameric [Tc(CO){sub 3}Cl]{sub 4}

Journal Article · · Radiochemistry
OSTI ID:28599
A single-crystal X-ray structure analysis of [Tc(CO){sub 3}Cl]{sub 4} is performed. The crystals belong to the cubic system, a = 10.322(3) {angstrom}, space group I{bar 4}3m, Z = 2, d{sub calc} = 2.63 g/cm{sup 3}. The crystal lattice is constructed of isolated tetrameric [Tc(CO){sub 3}Cl]{sub 4} with a cubane-like structure. The Tc(CO){sub 3} fragments are bonded to each other through Cl bridges with practically no metal-metal interaction. The total energy and bond multiplicity for [Tc(CO){sub 3}Cl]{sub 4} and the hypothetical related complexes [Tc(CO){sub 3}H]{sub 4}, [Tc(CO){sub 3}]{sub 4}{sup 4+}, and Tc{sub 4}{sup 4+} with different complex geometric parameters are calculated by the extended Hueckel method.
OSTI ID:
28599
Journal Information:
Radiochemistry, Journal Name: Radiochemistry Journal Issue: 3 Vol. 36; ISSN RDIOEO; ISSN 1066-3622
Country of Publication:
United States
Language:
English