Generation and characterization of C60(CN)2n−(n=1,2,3)

Abstract The mono-anion, di-anion and tri-anion of dicyanodihydrofullerene [C 60 (CN) 2 ] have been generated and monitored with a thin-layer spectro-electrochemical cell. The characteristic NIR absorption bands are found to be at 1019, 875 as well as at 744, and 691 nm for C 60 (CN) 2 − , C 60 (CN) 2 2− and C 60 (CN) 2 3− , respectively. Density functional theory calculations indicate that these anions exhibit no Jahn–Teller effect and possess charge distributions and shape distortions that are different from C 60 n − ( n =1,2,3) upon negative charge addition.