U.S.-Hungary: The Spectroscopy and Bond Energies of Gas Phase Organometallic Complexes

INT 00002472Baer这个由北卡罗来纳大学教堂山分校的Tomas Baer和他的合作伙伴布达佩斯Eotvos Lorand大学的Laszlo Szepes共同开展的美国-匈牙利研究项目，以有机金属络合物的合成为特色，并随后通过光电子能谱(PES)和光电子光离子符合谱(PEPICO)进行检测。这两个实验室都提供了从头算MO计算方面的专业知识。总之，他们的目标是测量气态金属有机络合物的键能和电离能。要做到这一点，将使用一些环戊二烯基和含羰基的钴和锰配合物。具体地说，研究人员希望获得以下信息：1)稳定的有机金属分子的绝热和垂直电离能；2)稳定的有机金属分子的光电子能谱；3)有机金属离子的键能，不仅存在于热分解产生的有机金属物种中，而且存在于木质素本身。如果成功，结果将提高我们对金属-有机木质素相互作用的理解，并可能有助于未来均相和非均相催化剂的设计。这个实验物理化学的国际项目通过使美国和中欧的专家能够结合互补的人才并在共同感兴趣和能力很强的领域共享研究资源来实现促进科学知识的计划目标。

INT 00002472BaerThis U.S.-Hungarian research project between Tomas Baer of the University of North Carolina, Chapel Hill, and his partner Laszlo Szepes of Eotvos Lorand University, Budapest, features synthesis of organometallic complexes and their subsequent examination by photoelectron spectroscopy (PES) and photoelectron photoion coincidence (PEPICO) spectrometry. Both labs contribute expertise in ab initio MO calculations. Together, their objective is to measure the bond and ionization energies of gaseous organometallic complexes. To do this, a number of cyclopentadienyl- and carbonyl-containing cobalt and manganese complexes will be used. Specifically, the researchers expect to derive information concerning: 1) the adiabatic and vertical ionization energies of the stable organometallic molecules; 2) the photoelectron spectrum of the stable organometallic molecule; and 3) the bond energies of the organometallic ion not only as found in the organometallic species produced by thermolysis but also the lignad itself. If successful, results should improve our understanding of metal-organic lignad interactions and may contribute to the future design of homogeneous and heterogeneous catalysts. This international project in experimental physical chemistry fulfills the program objective of advancing scientific knowledge by enabling experts in the Untied States and Central Europe to combine complementary talents and share research resources in areas of strong mutual interest and competence.