Synthesis and Investigation of Bis(alkynyl)boranes – Coordination Chemistry and Beyond

双炔基硼烷的发现已有半个多世纪。然而，这类化合物的反应性的探索仍处于起步阶段。最值得注意的是，双（炔基）硼烷作为d-和f-区元素的配体的应用仍然几乎未被探索。我们的初步工作表明，双炔基硼烷确实可以作为一类新的含硼π-无环配体，迄今为止，它们表现出三种不同的配位模式。双炔基硼烷配合物在反应化学中显示出巨大的应用潜力。例如，我们首次成功地将双（炔基）硼烷络合物转化为各种BN-9，1-萘。基于这些有希望的初步结果，我们的项目集中在对配位化学的基本理解和双（炔基）硼烷配合物的应用开发上。将创建双（炔基）硼烷“工具箱”。金属转移或一锅还原，并使用最先进的光谱和晶体学技术进行充分表征。将进行键合分析和计算力学研究。与扩大组的双（炔基）硼烷配合物的手，双（炔基）硼烷和其他共配体的电子和空间效应的影响，以及类型和氧化态的金属中心的键合和反应性将进行评估。这些配合物的进一步开发将为新型BN-9，1-萘和bis-BN-蒽作为光电材料的潜在组分以及一系列新型BN-吲哚和BN-苯并呋喃衍生物作为潜在的药效团提供一条途径。

Bis(alkynyl)boranes have been discovered more than half a century ago. However, exploration of the reactivity of this class of compounds is still in its infancy. Most remarkably, the application of bis(alkynyl)boranes as ligands for d-, and f-block elements remains almost unexplored. Our preliminary work demonstrated that bis(alkynyl)boranes can indeed serve as a new class of boron-containing π-acyclic ligands, which have shown three different coordination modes so far. The bis(alkynyl)borane complexes have shown great potential in reaction chemistry. For instance, we managed to convert bis(alkynyl)borane complexes to various BN-9,1-naphthalenes for the first time. Based on the promising initial results, our project focuses on the fundamental understanding of the coordination chemistry and the development of applications of bis(alkynyl)borane complexes. A "toolbox" of bis(alkynyl)boranes will be created. transmetalation, or one-pot reduction, and fully characterized using state-of-the-art spectroscopic and crystallographic techniques. Bonding analysis and computational mechanistic studies will be performed. With an enlarged group of bis(alkynyl)borane complexes on hand, the influence of the electronic and steric effect of bis(alkynyl)borane and other co-ligands, as well as the type and oxidation state of the metal center on bonding and reactivity will be assessed. The complexes will be further developed to give an avenue to the novel BN-9,1-naphthalenes and bis-BN-anthracenes as promising components for optoelectronic materials, and a series of novel BN-indole and BN-benzofuran derivatives as potential pharmacophores.