Boron atom as an electron density relay

The electronic structure of tetrapyrrolidinodiborane [(C4H8N)2B]2 has been investigated by HeI and HeII UV photoelectron spectroscopy (UPS) and DFT/OVGF calculations. Our results indicate that the title molecule has very low first ionization energy and can be readily oxidized in solution. We estimated the magnitudes of alkyl substituent effects on nitrogen and boron atoms and the efficiency of boron atom to act as an electron density relay facilitating through-bond interactions between the nitrogen lone pairs.

HeI/HeII photoelectron spectroscopy of boron compounds.Figure optionsDownload as PowerPoint slide