CAREER: Spectroscopic Studies of Ionic Transition Metal Complexes

在这个奖项中，科罗拉多大学博尔德分校的韦伯博士将用红外和光解离光谱研究过渡金属络合物离子。这些离子将通过激光汽化和超音速膨胀或电喷雾电离产生。过渡金属阴离子与碳氢分子或CO、CO2的络合物一般在多相催化中具有重要意义，特别是在CH和CO键的活化中。在无溶剂环境中对卤素金属酸盐的研究有望提高我们对其内在性质的理解。通常，这些金属酸盐是形成在催化中起重要作用的金属纳米颗粒的前体。在他的教育计划中，韦伯博士建议开发一种新的量子力学教学方法，依靠学生的互动和参与。韦伯博士将与教育专家联系，并通过互联网广泛传播课程计划，供其他人使用。许多工业过程依赖于多相催化。一个著名的例子是哈伯-博世工艺，在该工艺中，氨是由氢气和氮气产生的。氨是化肥的主要原料，世界上大部分粮食供应都依赖于此。气体与催化剂的固体表面相互作用，改变了反应路径，使反应发生所需的能量更少。为了提高催化性能以及运行催化反应所需的相关成本和资源，必须详细了解在反应中间歇形成的化学物种。科罗拉多大学博尔德分校的韦伯博士将使用复杂的设备来产生参与催化反应的物种，并非常详细地研究它们的结构。到目前为止，他的工作是独一无二的，因为他关注的是带负电荷的物种，这些物种很难研究，但预计会在这些过程中发挥重要作用。这些研究需要对如何数学描述成键相互作用有扎实的理论理解。这一化学领域属于量子力学领域，这是一门所有化学本科生都必须通过的课程。它通常是毕业的最大障碍，因为这种材料在数学上具有挑战性，与经典物理和化学有很大的不同。韦伯博士计划开发一门互动课程，持续评估学生的学习过程，并通过互联网与他的同事分享这门课程。

In this award, Dr. Weber from University of Colorado at Boulder, will study transition metal complex ions with infrared and photodissociation spectroscopy. The ions will be generated by laser vaporization and supersonic expansion, or by electrospray ionization. Transition metal anion complexes with hydrocarbon molecules or CO and CO2 have significance in heterogeneous catalysis in general, and in CH and CO bond activation in particular. The study of halogen metalates in a solvent-free environment is expected to improve our understanding of their intrinsic properties. Frequently, these metalates are precursors for the formation of metal nanoparticles that play an important role in catalysis. In his education plan, Dr. Weber proposes to develop a new approach to teaching quantum mechanics, relying on student interaction and engagement. Dr. Weber will liaise with educational specialists and broadly disseminate the course plan via the internet for others to use.Many industrial processes rely on heterogeneous catalysis. A famous example is the Haber-Bosch process in which ammonia is generated from hydrogen and nitrogen gases. Ammonia is the main feedstock for fertilizers upon which much of the world's food supply depends on. The gases interact with the solid surface of the catalyst that alters the reaction pathway such that less energy is required to make the reaction occur. In order to improve catalytic performance and the associated cost and resources required to run catalytic reactions, a detailed understanding of the chemical species that form intermittently in the reactions is imperative. Dr. Weber from University of Colorado at Boulder will use sophisticated equipment to generate species involved in catalytic reactions, and to study their structure in great detail. His work is unique in so far as he focuses on negatively charged species that are difficult to investigate, yet are expected to play an important role in these processes. These studies require a solid theoretical understanding on how to mathematically describe bonding interactions. This area of chemistry falls into the realm of quantum mechanics, a course that all chemistry undergraduate students have to pass. It often presents the greatest hurdle for graduation, as the material is mathematically challenging and drastically different from classical physics and chemistry. Dr. Weber plans to develop an interactive course that continuously gauges students' process, and to share this course with his colleagues via the internet.