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

Bi-Pd和Bi-Pt键合的实验和理论研究

• 批准号: 190708510
• 负责人: Dr. Kirill Monakhov
• 金额: --
• 依托单位: Leibniz-Institut für Oberflächenmodifizierung e.V. (IOM)
• 依托单位国家: 德国
• 项目类别: Research Fellowships
• 财政年份: 2010
• 资助国家: 德国
• 起止时间: 2009-12-31 至 2010-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/190708510?language=en
• 关键词: Experimental; theoretical; study; Bi; Pd

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.

在考虑的项目框架内，计划将铋（Bi）配位化学扩展到钯（Pd）和铂（Pt）配合物。它可能会提供新颖的，很可能是意想不到的合成机会，从而产生具有不同寻常的化学和物理性质的化合物。因此，Bi-Pd和Bi-Pt键合将在实验和理论层面从不同的角度进行研究。Bi-Pd和Bi-Pt键合分子的合成、表征和理论研究是分子化学领域令人兴奋和具有挑战性的目标，它们具有展示独特物理化学性质的巨大潜力。铋化合物与钯和铂的转化、异金属加成反应和氧化还原/复分解过程将研究它们产生具有Bi-Pd和Bi-Pt键的异质配合物的能力。这些理论和计算研究将基于不同的方法，如韦德的电子计数规则，等压性和等电子性原理，以及使用从头算，DFT和TD-DFT方法进行量子化学计算。对Bi-Pd和Bi-Pt异质配合物的结构、电子特性、合成和催化潜力的探索，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研究取得新的进展。预计含有双钯或双铂键的混合金属化合物可能会进入新的催化剂类别和/或成为杂双金属纳米结构材料和各种杂化材料的前体。