Synthesis, Characterization and Physical Properties of Alkalides and Electrides

摘要 9402016 染料 本研究涉及结晶盐和气相沉积薄膜的合成和表征，所述结晶盐和气相沉积薄膜含有由环状或双环聚氧杂分子络合的碱金属阴离子（碱金属化物）或捕获的电子（电子）和阳离子。特别强调将给予使用各种技术的单晶的光学，磁性和电学性质的研究。由于不同的配位化合物具有广泛不同的性质，并且由于它们的行为通常取决于样品的热历史，因此将合成新的配位剂以提供更广泛的结晶配位化合物。最近的理论研究指出了阴离子空穴和空穴通道的重要性，以及分子空穴中未成对电子波函数的扩展性质。为了将实验与理论联系起来，将合成简单的Li+络合剂，如9-冠-3，12-冠-3和穴状配体1.1.1，并用于制备供研究的配位化合物。将研究使用碱金属和碱土金属来制备纳米过渡金属和金属间化合物颗粒，包括游离的和在沸石笼中的。 本研究关注的是含有碱金属阴离子（碱金属化物）或俘获电子（电子化物）和阳离子的结晶盐和气相沉积薄膜的合成和表征。碱金属化物和碱土金属化物是两类新的有趣的材料。特别是，电子化物提供了独特的机会来检查电子的行为，这些电子不“属于”特定的原子或分子，而是占据了紧密堆积的大型复合阳离子之间的空穴和通道。它们提供了研究诸如接近近自由电子晶格的系统中的非金属到金属转变，以及1，2和3维中的磁相互作用和电子导电性等现象的机会。重点是利用多种表征方法研究单晶的光、磁、电性质。

Abstract 9402016 Dye This research involves the synthesis and characterization of crystalline salts and vapor-deposited thin films that contain alkali metal anions (alkalides) or trapped electrons (electrides) and cations that are complexed by cyclic or bicyclic poly-oxa molecules. Particular emphasis will be given to the study of the optical, magnetic and electrical properties of single crystals using a variety of techniques. Because different electrides have widely different properties, and since their behavior often is dependent on the thermal history of the sample, new complexants will be synthesized to provide a wider assortment of crystalline electrides. Recent theoretical treatments have pointed out the importance of anionic cavities and empty channels in electrides and the extended nature of the unpaired electron wavefunction in molecular electrides. To relate experiment to theory, simple complexants for Li+, such as 9-crown-3, 12-crown-3 and cryptand 1.1.1 will be synthesized and used to prepare electrides for study. The use of alkalides and electrides to prepare nanoscale transition metal and intermetallic particles, both free and in zeolite cages will be studied. %%% This research is concerned with the synthesis and characterization of crystalline salts and vapor-deposited thin films that contain alkali metal anions (alkalides) or trapped electrons (electrides) and cations. Alkalides and electrides are two new, interesting classes of materials. Electrides, in particular, provide the unique opportunity to examine the behavior of electrons that do not "belong" to a particular atom or molecule, but rather, occupy the holes and channels between close-packed large complexed cations. They provide the opportunity to study such phenomena as non-metal to metal transitions in systems that approach a lattice of nearly free electrons, and magnetic interactions and electronic conductivity in 1, 2, and 3 dimensions. Emphasis will be given to the study of the optical, magnetic and ele ctrical properties of single crystals using many characterization methods.