Stereochemistry of free boranes and heteroboranes from electron scattering and model chemistries.
Stereochemistry of free boranes and heteroboranes from electron scattering and model chemistries.
复制标题
来自电子散射和模型化学的游离硼烷和杂硼烷的立体化学。
作者：
D. Hnyk;D. Rankin
在过去的二十年里，现代计算方法的发展，与分析实验气相结构数据的改进方法相联系，使得许多硼烷和杂硼烷的立体化学得以非常准确地确定。其中许多化合物是在捷克共和国科学院无机化学研究所制备的，气相电子衍射(GED)数据主要是在爱丁堡大学获得的。还采用了基于GED、几何和B化学位移(MOCED，Saracen)计算的结构工具。本文回顾了这一扩展研究计划的结果。包括许多不同的闭合几何形状、Nido几何形状、Arachno几何形状和连字符几何形状，以及一些不符合Wade规则的几何形状。对这类结构化学研究的未来进行了展望。
The development of modern computational methods, linked to improved methods for analysis of experimental gas-phase structural data, has allowed the stereochemistry of many boranes and heteroboranes to be determined with great accuracy over the past two decades. Many of these compounds have been prepared in the Institute of Inorganic Chemistry of the Academy of Sciences of the Czech Republic, and gas-phase electron diffraction (GED) data have been obtained mainly at the University of Edinburgh. Structural tools based on the concerted use of GED and computations of the geometries and "B chemical shifts (MOCED, SARACEN) have also been employed. The results of this extended programme of research are reviewed here. Many different closo-, nido-, arachno-, and hypho-geometrical shapes, as well as some that do not obey Wade's rules, are included. The outlook for the future of this type of structural chemistry research is assessed.