Quadrupole ion trap mass spectrometer with electrospray-ionization source and cryo option

电喷雾电离（ESI）质谱已被证明是最强大的分析技术之一，以确定化学转化的反应中间体，特别是那些涉及有机金属。此外，对大量选择离子的气相实验可以探测这些物种的微观反应性，而不需要分子间交换过程或溶剂配位的复杂影响。由此获得的机理洞察对于合理和系统地开发改进的合成和催化应用至关重要。ESI四极离子阱质谱仪将用于阐明铁催化的交叉偶联和钴催化的C-H活化反应。此外，它将用于检查原型基本步骤的有机金属物种，如氧化添加，质子转移反应和还原消除，非常详细。为此，所要求的仪器包括一个冷却装置，该装置将允许将实际离子阱以及其中受限的氦气和大量选择的离子的温度降低到100k。这样，在可变温度下的实验将变得可行，并提供对所探测的基本步骤的能量学的深入信息。此外，冷却选项将有助于热不稳定中间体的检测。申请人在使用ESI四极离子阱质谱仪进行有机金属反应的机理研究方面有丰富的经验，其中大部分都是在2008年委托使用的这种仪器上进行的。由于高反应性有机金属样品溶液频繁注入该仪器造成的严重磨损，以及新一代四极离子阱质谱仪的发展，它不再允许进行最先进的实验，需要尽快更换。所要求的文书将取代旧的文书，从而确保申请人及其合作伙伴能够保持其国际竞争力。此外，它的冷却选项将允许有希望的新型实验，这是旧设备无法实现的。

Electrospray-ionization (ESI) mass spectrometry has been demonstrated to be one of the most powerful analytical techniques to identify reactive intermediates of chemical transformations, particularly those involving organometallics. Gas-phase experiments on mass-selected ions can moreover probe the microscopic reactivity of these species without the complicating effects of intermolecular exchange processes or solvent coordination. The thus obtainable mechanistic insight is of key importance for the rational and systematic development of improved synthetic and catalytic applications.The requested ESI quadrupole-ion trap mass spectrometer will be used for elucidating iron-catalyzed cross-coupling and cobalt-catalyzed C–H activation reactions. Furthermore, it will be employed for examining prototypical elementary steps of organometallic species, such as oxidative additions, proton-transfer reactions, and reductive eliminations, in great detail. To this end, the requested instrument comprises a cooling device, which will permit lowering of the temperature of the actual ion trap as well as the therein confined helium gas and mass-selected ions down to 100 K. In this way, experiments at variable temperatures will become feasible and afford in-depth information on the energetics of the probed elementary steps. In addition, the cooling option will facilitate the detection of thermo-labile intermediates.The applicant in charge has extensive experience in the use of ESI quadrupole-ion trap mass spectrometers for mechanistic studies of organometallic reactions, most of which have been performed with such an instrument commissioned in 2008. Due to the heavy wear resulting from the frequent infusion of sample solutions of highly reactive organometallics into this instrument as well as due to the development of a new generation of quadrupole-ion trap mass spectrometers, it does no longer allow state-of-the-art experiments and needs to be replaced as soon as possible. The requested instrument will substitute the old and, thus, ensure that the applicant and his collaboration partners can maintain their international competitiveness. Moreover, its cooling option will allow for promising new types of experiments that are not possible with the old equipment.