Local interconversions between graphite and diamond structures Original Research Article

Chemically favorable local defects in the graphite lattice converting trigonally hybridized carbon atoms into tetrahedrally hybridized atoms connecting parallel layers are considered from a systematic viewpoint. Vice versa, local defects in the diamond net converting tetrahedrally hybridized carbon atoms into trigonally hybridized atoms without giving rise to polyradicals are examined. Some of these local transitions interconverting the two main allotropes of carbon may already occur in reality; the most likely are considered to be either the formation or the rupture of bridges between graphitic sheets involving (1) six electrons, analogous to the Diels-Alder reaction, and (2) pairs of 1,3-bonds between benzenoid rings.