Extremal acidity of Rees polycyanated hydrocarbons in the gas phase and DMSO--a density functional study.
It is shown by using the density functional theory (DFT) calculations that Rees tricyclic[10]annulene 1 and its benzo-annelated derivative 2, substituted by CN groups at all peripheral sp2 carbon positions, represent hyperstrong neutral superacids in the gas-phase and DMSO.
Quantum Organic Chemistry Group, Division of Organic Chemistry and Biochemistry, Ruder Bosković Institute, Bijenicka 54, Zagreb, Croatia.
Robert
R
Vianello
Zvonimir B
ZB
Maksić