Fullerene hydrides based on skew pentagonal pyramidal arrangements of hydrogen atoms

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