Exploring the fundamentals of chemical bonding and reactivity at the atomic scale

探索原子尺度化学键合和反应性的基础知识

• 批准号: 453903355
• 负责人: Dr. Alexander Riss
• 金额: --
• 依托单位: Arbeitsgruppe Oberflächen- und Grenzflächenphysik
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/453903355?language=en
• 关键词: Exploring; fundamentals; chemical; bonding; reactivity

This project will investigate chemical reactivity and bonding at the atomic scale. We will measure the interaction potential between individual reactants with a precision in the picometer/piconewton range. These experiments will help to establish a coherent and fundamental understanding of basic concepts of reactivity and bonding, which lie at the core of chemistry, biosciences and other related fields.In particular, we will explore metal-organic bonding, pi interaction, as well as Lewis acid-Lewis base interaction. Comparative measurements and systematic use of reactants will provide insights into longstanding questions, such as the influence of heteroatom substitution and aromaticity on pi stacking, as well as the effect of fractional atomic charge states on metal-organic coordination. Furthermore, we will quantify and map reactivity, such as Lewis acidity and basicity, at the sub-nanometer scale.These studies will be performed by direct measurements of the forces between two atomically defined reactants via atomic force microscopy (AFM) experiments in ultrahigh vacuum. Both reactants – one of them attached to the AFM tip and the other one adsorbed at the surface – will be thoroughly characterized to determine their exact structures and adsorption geometries. Analysis of the multidimensional force field of the interaction between the two reactants, measured in unprecedented detail as a function of their relative distance, spatial alignment and orientation, will provide insights into chemical behavior at the atomic scale. This project will have significant implications for the understanding and prediction of chemical reactivity, as well as for modeling of chemical bonding. Our results will contribute to technological applications, such as the fabrication of catalysts, drug discovery and rational reaction design in synthetic chemistry.

该项目将在原子量表下研究化学反应性和键合。我们将测量在图表/piconnewton范围内具有精度的单个反应物之间的相互作用势。这些实验将有助于建立对反应性和键合的基本概念的连贯和基本理解，这是化学，生物科学和其他相关领域的核心。尤其是，我们将探索金属有机键合，PI相互作用，以及刘易斯酸刘易斯·利维斯基础相互作用。比较测量和系统使用反应物将为长期存在的问题提供见解，例如杂原子取代和芳香性对PI堆叠的影响，以及分数原子电荷态对金属有机配位的影响。此外，我们将以亚纳米尺度量化和绘制反应性，例如路易斯酸度和碱性。这些研究将通过通过超高真空中的原子力显微镜（AFM）实验直接测量两个原子定义的反应物之间的力进行。两种反应物（其中一个连接到AFM尖端，另一个附着在表面上 - 都将彻底表征以确定其确切的结构并增加吸附几何形状。分析两个反应物之间相互作用的多维力场，以前所未有的细节测量，其相对距离，空间比对和方向的函数将在原子尺度上提供对化学行为的见解。该项目将对化学反应性的理解和预测以及化学键建模具有重要意义。我们的结果将有助于技术应用，例如催化剂的制造，药物发现和合成化学中的合理反应设计。