Experimental and theoretical study of the Bi-Pd and Bi-Pt bonding

在所考虑的项目的框架内，计划将铋（Bi）配位化学扩展到钯（Pd）和铂（Pt）络合物。它可能会提供新的，最有可能是意想不到的合成机会，从而导致具有不寻常的化学和物理性质的化合物。因此，Bi-Pd和Bi-Pt键合将从实验和理论水平的不同角度进行研究。Bi-Pd和Bi-Pt键合分子的合成、表征和理论研究具有很高的潜力，表现出独特的物理化学性质，代表了分子化学中令人兴奋和具有挑战性的目标。将研究铋化合物与钯和铂物种的转化、异金属加成反应和氧化还原/复分解过程，以了解它们产生具有Bi-Pd和Bi-Pt键的杂合物的能力。对这些问题的理论和计算研究将基于不同的方法，如韦德电子计数规则、等容性和等电子性原则，以及使用从头算、DFT和TD-DFT方法进行的量子化学计算。探索Bi-Pd和Bi-Pt杂配合物的结构和电子特征以及合成和催化潜力将有助于过渡金属和主族元素化合物的无机和有机金属化学的新进展。预计含有Bi-Pd或Bi-Pt键的混合金属化合物可以进入新型催化剂和/或成为杂双金属纳米结构材料和各种混合材料的前体。

In the framework of the considered project, an extension of bismuth (Bi) coordination chemistry to palladium (Pd) and platinum (Pt) complexes is planned. It might give novel and, most probably, unexpected synthetic opportunities and, consequently, lead to compounds with unusual chemical and physical properties. Hence, the Bi-Pd and Bi-Pt bonding will be investigated from different perspectives on the experimental and theoretical level. The synthesis, characterization, and theoretical study of Bi-Pd and Bi-Pt bonded molecules, having a high potential to exhibit unique physical-chemical properties, represent exciting and challenging targets in molecular chemistry. Conversions, heterometallic addition reactions and redox/metathesis processes of bismuth compounds with palladium and platinum species will be studied regarding their capabilities to yield heterocomplexes with the Bi-Pd and Bi-Pt bonds. Theoretical and computational study of those will be based on different approaches such as Wade‘s electron count rules, principles of isolobality and isoelectronicity, and quantum chemical calculations with the use of ab initio, DFT and TD-DFT methods. Exploring the structural and electronic features as well as the synthetic and catalytic potential of the Bi-Pd and Bi-Pt heterocomplexes should contribute to new advances in inorganic and organometallic chemistry of the transition metal and main group element compounds. It is expected that the mixed-metal compounds containing Bi-Pd or Bi-Pt bonds may provide entry into new classes of catalysts and/or to be precursors to heterobimetallic nanostructured materials and wide range of hybrid materials.