The electronic structure of hydrotris(1-pyrazolyl)borate ligand by He-I and He-II photoelectron spectroscopy

Abstract

The He-I and He-II excited photoelectron spectra of the sodium and thallium(I) derivatives of the hydrotris(1-pyrazolyl)borate ligand are reported. Experimental criteria as well as quantum-mechanical calculations were used to assign photoelectron bands in the low ionization energy region. The spectra indicate a minor perturbation of metal ions on ligand based molecular orbitals. The results provide an adequate description of the electronic structure of the anion ligand itself.