Metal-Metal Bonded Halides and their Derivatives

新型材料的综合探索 前过渡金属的富金属卤化物及其 将进行物理表征。 这些研究将 其特征在于独特的化合物组，其中金属簇合物和 凝聚的团簇相通过强结合而稳定， 填隙元素，但其他结构的新例子， 还将寻求性能和结合。 集群主机 金属将包括Sc、Y、镧系元素、Ti、Hf和Nb， 卤化物是氯化物、溴化物和碘化物， 所研究的物质将是主群和过渡群（3d， 4d，5d）元素。 除了完整的结构 表征，物理性质的新的和有趣的 相将由电导率，磁化率， 固态NMR和光电子光谱测量， 这些将与扩展休克尔（带） 计算。 将特别强调 可能的材料范围和粘合的性质， 以重过渡元素为中心的集群， 以及无限链状和片状结构的性质， 这些化合物提供了杂金属阵列， 将这些化合物转化为金属间相， 中心簇的化学性质，因为这些提供了 了解其稳定性和可能的路线，以新的 固体材料。

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.