首页> 外文期刊>Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems >Reinterpreting boron bridges: elimination of the non-isomorphicity of the topological versus geometrical picture traditionally presented for the boranes
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Reinterpreting boron bridges: elimination of the non-isomorphicity of the topological versus geometrical picture traditionally presented for the boranes

机译:重新解释硼桥:消除了传统上为硼烷呈现的拓扑图与几何图的非同构性

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摘要

Re-examinationof bonding patterns in the boranes, including a redefinition of both hydrogen and boron bridges, is under-taken. In lieu of traditional three-atom-two-electron bonds, hydrogen bridges are reinterpreted as simply the concatenation of two one-electron bridges about a common hydrogen atom. A fusion of two three-atom-three-electron bonds, formed from a hydrogen bridge augmented by a one-electron bridge between the two boron atoms that are hydrogen bridged, is proposed as a replacement for boron bridges. Such a development produces a far greater degree of geometrical simplicity and symmetry in the resultant models than is created by the use of traditional hydrogen and boron bridges. In addition to obviating what we believe is a false picture that implies otherwise identical atoms have different connectivities, our model eliminates major differences between the geometrical vs. topological pictures of the various boranes that have stood unchallenged since the seminal work on these compounds was first formulated, as well as explaining why penta-coordination is prevalent in the boranes.
机译:正在对硼烷中的键合模式进行重新检查,包括重新定义氢桥和硼桥。代替传统的三原子两电子键,氢桥被简单地解释为围绕一个共同氢原子的两个单电子桥的连接。提出了由氢桥形成的两个三个三原子三电子键的融合,该氢桥被两个氢桥联的硼原子之间的单电子桥所增强,以代替硼桥。与使用传统的氢桥和硼桥所产生的结果相比,这种改进在所得模型中产生了更大程度的几何简单性和对称性。除了消除我们认为是虚假的图像(暗示相同原子具有不同的连通性)之外,我们的模型还消除了自从首次研究这些化合物的开创性工作以来历经挑战的各种硼烷的几何图谱与拓扑图之间的重大差异,并解释了为什么硼烷中普遍存在五配位。

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