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

美国-匈牙利：气相有机金属配合物的光谱学和键能

基本信息

批准号：
0000232
负责人：
Tomas Baer
金额：
$ 2.91万
依托单位：
University of North Carolina at Chapel Hill
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2000
资助国家：
美国
起止时间：
2000-06-15 至 2004-11-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=0000232&HistoricalAwards=false
关键词：
U.S.Hungary Spectroscopy Bond Energies

项目摘要

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.

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. 这两个实验室都在从头算Mo计算方面贡献了专业知识。他们的目标共同测量气态有机金属络合物的键和电离能。为此，将使用许多环戊二烯基和含羰基的钴和锰配合物。具体而言，研究人员期望获得有关的信息：1）稳定有机金属分子的绝热和垂直电离能； 2）稳定有机金属分子的光电子光谱； 3）有机金属离子的键能不仅在热解产生的有机金属物种中，而且还存在木木质本身。如果成功，结果应提高我们对金属有机木质木质相互作用的理解，并可能有助于均质和异质催化剂的未来设计。实验物理化学方面的国际项目实现了计划的目标，即通过使无关的州和中欧的专家能够将互补才能结合在一起，并在具有强大的共同利益和能力领域的领域中分享研究资源。