Structural, Chemical, and Bonding Studies of Electron Deficient Boron Halide Clusters

该奖项在无机，生物无机和有机化学 该计划支持约翰·A博士的研究莫里森 伊利诺伊大学芝加哥分校化学系， 关于多面体卤化硼簇。 二价阴离子 具有相等数目（n）的硼和卤素原子 （包括n = 7，8，10，11，12）的化合物， 使用PES，XPS，NMR， 和X射线晶体学 四卤化二硼和四硼 四卤化物和B（14）Cl（18）也将被研究。 取代基将不限于卤化物，还将 包括烷基、烷氧基和酰胺基。 的目标 研究的目的是研究这些电子的成键模式 预期表现出结构的缺陷化合物 以前在硼簇中没有观察到。 分子轨道 计算将有助于光谱的解释， 前将芯片 %%% 大的规则多面体簇合物，含硼最多12个 原子是众所周知的。 每个硼通常也结合到一个 氢或卤素原子。 “骨架”电子的数量 通常需要2n+2，其中n 是团簇中硼原子的数量。 莫里森会 合成仅含2n电子新物种， 观察对团簇形状和反应性的影响 以及其结合特性。 虽然这项研究是 基本上，它可能适用于其他集群 元素，特别是那些含有金属的元素， 在许多催化和电子材料中。

This award in the Inorganic, Bioinorganic, and Organometallic Program supports research by Dr. John A. Morrison of the Chemistry Department, University of Illinois at Chicago, concerning polyhedral boron halide clusters. Divalent anions with equivalent numbers (n) of boron and halide atoms (including n = 7, 8, 10, 11, 12) will be synthesized and their reactivities and structures characterized using PES, XPS, NMR, and X-ray crystallography. Diboron tetrahalides and tetraboron tetrahalides and B(14)Cl(18) will also be studied. Substituents will not be limited to halides, but also will include alkyl, alkoxide, and amide groups. The goal of the research is to investigate the bonding modes of these electron deficient compounds which are expected to exhibit structures not previously observed in boron clusters. Molecular orbital calculations will facilitate the interpretation of spectra and bonding. %%% Large regular polyhedral clusters containing up to 12 boron atoms are well known. Each boron is typically bound also to a hydrogen or halide atom. The number of "framework" electrons required to hold the cluster together is usually 2n+2, where n is the number of boron atoms in the cluster. Morrison will synthesize novel species which contain only 2n electrons and observe the effects on the shape and reactivity of the cluster and its bonding characteristics. Although the research is fundamental, it may be applicable to clusters of other elements, particularly those containing metals which are found in many catalytic and electronic materials.