Metal-Metal Bonded Halides and their Derivatives

将在早期过渡金属的富金属卤化物中进行新的和新的材料的综合探索及其物理表征。这些研究将以一组独特的化合物为特色，其中金属团簇和凝聚的团簇相由强结合的间隙元素稳定，但也将寻找其他结构、性质和成键的新例子。簇主金属包括Sc、Y、稀土元素、Ti、Hf和Nb，卤化物将是氯、溴和碘，所研究的间隙元素将是主族元素和过渡元素(3d、4d、5d)。除了完整的结构表征，新的和感兴趣的相的物理性质将通过电导率、磁化率、固态核磁共振和光电子能谱测量来定义，这些测量将与扩展休克尔(带)计算相结合。将特别强调以重过渡元素为中心的团簇中可能的间隙范围和成键的性质，这些化合物提供异金属阵列的无限链状和片状结构的产生和性质，这些化合物与金属间相的关系，以及中心团簇的溶液化学，因为这些化学既提供了对它们的稳定性的了解，也提供了获得新固体材料的可能途径。

Synthetic explorations for new and novel materials among the metal-rich halides of the early transition metals and their physical characterization will be pursued. The studies will feature the unique group of compounds in which metal cluster and condensed cluster phases are stabilized by strongly bound, interstitial elements, but new examples of other structures, properties and bonding will also be sought. The cluster host metals will include Sc, Y, the lanthanides, Ti, Hf and Nb, the halides will be chloride, bromide and iodide, and the interstitials studied will be both main group and transition (3d, 4d, 5d) elements. In addition to complete structural characterization, physical properties of new and interesting phases will be defined by conductivity, magnetic susceptibility, solid state NMR, and photoelectron spectroscopic measurements, and these will be coupled with extended-Huckel (band) calculations. Particular emphasis will be given to both the range of interstitials possible and the nature of the bonding in clusters centered by heavy transition elements, to the creation and properties of infinite chain and sheet structures in which these compounds provide heterometal arrays, to the relationship of these compounds to intermetallic phases, and to the solution chemistries of centered clusters as these provide both understanding of their stabilities and possible routes to new solid materials.