Photoelectron spectra and electronic structure of nitrogen analogues of boron β-diketonates
Journal of Molecular Structure(2016)
摘要
The electronic structure of the valence levels of seven nitrogen-containing boron complexes was investigated using methods of ultraviolet photoelectron spectroscopy and density functional theory. The ionization energies of π- and σ-levels were obtained from photoelectron spectra. The electronic structure of nitrogen-containing compounds was compared with the electronic structure of β-diketonates. It was shown the influence of various substituents on carbon and nitrogen atoms of six-membered ring on the electronic structure of complexes. The changes in the electronic structure after the substitution of atoms in condensed cycles have been identified.
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关键词
Electronic structure,Chelate complexes,Boron β-diketonates,Nitrogen analogues,Photoelectron spectroscopy,Density functional theory
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