The metal-mediated conversion of octachlorocycloheptatriene into dodecachloroheptafulvalene: a synthetic, structural, and EHMO study

Octachlorocycloheptatriene, C 7 Cl 8 , 3, reacts with a variety of organometallic precursors, e.g., Fe 2 (CO) 9 , Co 2 (CO) 8 , [(C 5 H 5 )Fe(CO) 2 ] − , to give dodecachloroheptafulvalene, C 14 C 12 ,12, in yields ranging from 54 to 68%. There is no evidence to support the intermediacy of carbene complexes of the type C 7 Cl 6 =ML n , and it is suggested that the reaction proceeds by the dechlorination of C 7 Cl 8 to give …