Start Date
10-17-2017 10:00 AM
Description
Metal-mediated bond activation of small organic and inorganic molecules plays critical roles in chemical transformation of small molecules into value-added products.
This is because few of such chemical reactions would occur under mild conditions without the metal activation.
In this work, lanthanum atom reactions with alkylamines are carried out in a laser-ablation supersonic molecular beam source; C-H and N-H bond activation in these species is investigated.
The reaction products are observed with photoionization time-of-flight mass spectrometry and characterized by mass-analyzed threshold ionization (MATI) spectroscopy and theoretical calculations.
Adiabatic ionization energy and metal-ligand and ligand-based vibrational frequencies of several short-lived lanthanum complexes are measured from MATI spectra.
Molecular structures, electronic states, and formation mechanisms of these complexes are identified by combining the spectroscopic measurements with density functional theory calculations and spectral simulations.
Included in
Spectroscopic and Computational Characterization of Lanthanum-Mediated C-H and N-H Bond Activation of Amines
Metal-mediated bond activation of small organic and inorganic molecules plays critical roles in chemical transformation of small molecules into value-added products.
This is because few of such chemical reactions would occur under mild conditions without the metal activation.
In this work, lanthanum atom reactions with alkylamines are carried out in a laser-ablation supersonic molecular beam source; C-H and N-H bond activation in these species is investigated.
The reaction products are observed with photoionization time-of-flight mass spectrometry and characterized by mass-analyzed threshold ionization (MATI) spectroscopy and theoretical calculations.
Adiabatic ionization energy and metal-ligand and ligand-based vibrational frequencies of several short-lived lanthanum complexes are measured from MATI spectra.
Molecular structures, electronic states, and formation mechanisms of these complexes are identified by combining the spectroscopic measurements with density functional theory calculations and spectral simulations.
