Zero Electron Kinetic Energy Photoelectron Spectroscopy of Metal Association Complexes

The proposed work will investigate electronic spectra, metal-ligand bonding and molecular structures of gas-phase metal-aromatic complexes. The metals are aluminum, copper and scandium atoms; and the ligands are benzene, polycyclic aromatic hydrocarbons and nitrogen-containing heterocycles. The complexes are prepared in laser-vaporization molecular beams and identified with photo ionization mass spectrometry. The adiabatic ionization potentials and vibrational frequencies are measured by using pulsed field ionization-zero electron kinetic energy photoelectron spectroscopy. The bond energies of the neutral complexes are derived by using the measured ionization potentials in combination with the known ionization potentials of the bare atoms and bond energies of the ionized complexes. The electronic states and molecular structures are determined by comparing the spectroscopic data and theoretical predictions. These studies will provide critically needed data for the study of these species in industrial processes and contribute to our understanding of metal bonding interactions important in organometallic compounds, biological systems, materials synthesis and homogeneous catalysis. The broader impact of the work will promote training and education of undergraduates, graduate students and postdoctoral fellows in the methods, techniques and instrumentation of modern physical chemistry. The PI's research group consists of domestic and international students of both genders and has ongoing collaborations with a professor at a non-Ph.D. granting institution in Kentucky and with scientists from Japan and Canada. This PI is active in the curriculum development of undergraduate physical chemistry laboratory and in mentoring programs for local K-12 students.