Complexes in the Naphthoquinone Series: Crystal Structures, Electronic Structures, Stability

Abstract

It is shown that the charge transfer is negligible in the ground state for organic charge transfer complexes between phenols and quinones. Our objective Is to determine the origin of the stability of the complexes. The geometric, electronic and energetic properties of these complexes were examined by three techniques, crystal structure determination by X-ray diffraction, spectrum and charge transfer calculation by quantum chemical methods, and lattice energy computation.