Theory provides a clue to accomplish the synthesis of sumanene, C21H12, the prototypical C3v-buckybowl

Two possible synthetic routes, namely a triphenylene route and a trindene route for the synthesis of sumanene, C21H12 (2CH(2)) and trithiasumanene, C18S3H6 (2S) are analyzed in detail. Theoretical calculations unequivocally predict that the synthesis of sumanene may be easily achieved through a trindene route. (C) 2001 Elsevier Science Ltd. All rights reserved.