GRK 2943: SPECtroscopic Tools for challenging REduction reactions - Catalytic coupling of CO2 (SPECTRE)

全球变暖是人类面临的最大挑战之一。迫切需要可持续的技术来避免和减少温室气体二氧化碳的排放。通过还原性均偶联将CO2选择性转化为增值的多碳化合物提供了将CO2转化为具有碳中和足迹的化学能量载体和产品的机会。CO2与草酸盐的还原偶联代表了产生C2+产物的反应级联的第一个尚未开发的步骤。在这个研究培训小组中，将开发新的有机金属，电催化和光催化途径，用于从CO2形成草酸盐。光谱学研究是现代催化研究中最重要的一般和特别是在这里提出的方法。它们提供了有关操作过程的重要信息，因此对于其优化至关重要。操作方法允许观察反应性和失活的催化物种，与建模相结合，能够阐明途径和机制，并允许洞察驱动的催化系统优化。均相催化的最新发展，以及包括有抱负的学科，如电-或电子-放置新的要求，实验能力有关的时间和空间分辨率的应用光谱方法。在这里，我们看到了耦合光谱技术的应用和进一步的和新的发展的巨大潜力。因此，我们的目标是利用新的光谱，化学计量学和量子化学工具的发展和理解的具有挑战性的模型反应的催化形成草酸从CO2，这将有利于现代催化研究一般。博士研究员将受益于具有实验和理论专业知识的跨学科科学联盟，在催化，分子化学，物理和理论化学，物理和数学之间的界面上，在具有挑战性的科学背景下开发创新的化学方法。该培训计划提供了一个优秀的多学科教育，通过罗斯托克大学和莱布尼茨催化研究所的协同互动增强。培训的重点是通过在多元化，建设性的科学环境中的结构化，联合教育和个人发展计划，培养学生的个人资格。特别措施包括参与实验室内外的短期和中期人员交流模块，以及定期研讨会和外部访问科学家的丰富参与。

Global warming is one of the greatest challenges facing humanity. Sustainable technologies to avoid and reduce the evolution of the greenhouse gas CO2 are urgently required. Selective conversion of CO2 into value-added multi-carbon compounds by reductive homocoupling offers the opportunity to convert CO2 into chemical energy carriers and products with a carbon neutral footprint. The reductive coupling of CO2 to oxalate, represents the first yet underdeveloped step of a reaction cascade yielding C2+ products. In this research training group, new organometallic, electrocatalytic and photocatalytic pathways for the formation of oxalate from CO2 will be developed. Spectroscopic studies are of utmost importance for modern catalysis research in general and for the approach proposed here in particular. They provide important information about the operating processes and are therefore essential for their optimisation. Operando methods allow the observation of reactive and deactivated catalytic species, which, in combination with modelling, enables the elucidation of pathways and mechanisms and allow for an insight-driven optimisation of catalytic systems. Recent developments in homogeneous catalysis as well as inclusion of aspiring disciplines such as electro- or photocatalysis place new demands on the experimental capabilities concerning time- and spatial-resolution of applied spectroscopic methods. Here we see great potential for the application and the further and new development of coupled spectroscopic techniques. Accordingly, we aim to harness new spectroscopic, chemometric and quantum chemical tools for the development and understanding of the challenging model reaction of the catalytic formation of oxalate from CO2, which will benefit modern catalysis research in general. The PhD fellows will benefit from an interdisciplinary scientific consortium with experimental and theoretical expertise to develop innovative chemical approaches in a challenging scientific context at the interface between catalysis, molecular chemistry, physical and theoretical chemistry, physics, and mathematics. The training program offers an excellent multidisciplinary education enhanced by the synergetic interaction of the University of Rostock and the Leibniz Institute for Catalysis. The focus of the training is on the individual qualification of the students through a structured, joint educational and personal development program in a diverse, constructive scientific environment. Special measures include both, short- and medium-term personnel exchange modules within and beyond the participating laboratories, as well as regular seminars and the enriching engagement of external visiting scientists.