A polycyclic borazine radical cation: [1,2-B₂{1,2-(MeN)₂C₆H₄}₂]˙⁺

Abstract

The radical cation [1,2-B2{1,2-(MeN)2C6H4}2]˙(+) has been synthesised and its structure and bonding have been probed using a combination of X-ray crystallography, EPR spectroscopy and DFT calculations which show that it represents a new type of radical centred primarily on two N-heterocyclic units joined by a B2 linker but with only a minor contribution from boron-based orbitals.