FULLERENE HYDRIDES BASED ON SKEW PENTAGONAL PYRAMIDAL ARRANGEMENTS OFHYDROGEN-ATOMS

Following experimental and theoretical studies on fullerene bromides i n which discrete skew pentagonal pyramidal arrangements of bromine ato ms can be observed, similar structures have been investigated for the fullerene hydrides. Pairs of hydrogen atoms are considered to add to s ix-membered. carbon rings in either an ortho or para arrangement, comp ared with only ortho in previous studies. A number of structures have been found which are more stable than any previously reported, based o n the single skew pentagonal pyramidal C60H6, the double skew pentagon al pyramidal C60H12, and the triple skew pentagonal pyramidal C60H18.